1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide

C170H233N13O14S3 — CID 158334230

IUPAC1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide
SMILESC/C(=C/C(C)C)c1ccccc1.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)C(=O)Nc1ccccc1.CC(C)C1=Cc2ccccc2C1S(=O)(=O)c1ccccc1.CC(C)COC(C)C.CC(C)OCc1ccncc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)CCN2C.COc1ccc(C(C)C)cn1
InChIInChI=1S/C20H23N.C18H18O2S.C15H22N2O.C13H17NO.C12H20N2O.C12H15NO.C12H17N.C12H16.C11H15NO2S.C10H15NO2S.C10H13NO.2C9H13NO.C7H16O/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-13(2)17-12-14-8-6-7-11-16(14)18(17)21(19,20)15-9-4-3-5-10-15;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-8-12;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-10(2)9-11(3)12-7-5-4-6-8-12;1-9(2)7-8-10-5-3-4-6-11(10)15(12,13)14;1-8(2)9-4-6-10(7-5-9)11-14(3,12)13;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)11-7-9-3-5-10-6-4-9;1-6(2)5-8-7(3)4/h4-12,15H,13-14H2,1-3H3;3-13,18H,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);6-8H,1-5H3,(H2,13,14);4-6H,7H2,1-3H3,(H,13,14);4-5,8-9H,6-7H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3,(H2,12,13,14);4-8,11H,1-3H3;3-8H,1-2H3,(H,11,12);4-7H,1-3H3;3-6,8H,7H2,1-2H3;6-7H,5H2,1-4H3/b;;;;;;;11-9-;8-7+;;;;;
InChIKeyGQJOUXNVKDCINB-PVSLCCCQSA-N
MW2779.01 g/mol
LogP38.86
Rot. Bonds32

About 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide

1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide (PubChem CID 158334230) has the molecular formula C170H233N13O14S3 and a molecular weight of 2779.01 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide
PubChem CID158334230
Molecular FormulaC170H233N13O14S3
Molecular Weight2779.01 g/mol
Exact Mass2776.71
IUPAC Name1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide
SMILESC/C(=C/C(C)C)c1ccccc1.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)C(=O)Nc1ccccc1.CC(C)C1=Cc2ccccc2C1S(=O)(=O)c1ccccc1.CC(C)COC(C)C.CC(C)OCc1ccncc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)CCN2C.COc1ccc(C(C)C)cn1
InChIInChI=1S/C20H23N.C18H18O2S.C15H22N2O.C13H17NO.C12H20N2O.C12H15NO.C12H17N.C12H16.C11H15NO2S.C10H15NO2S.C10H13NO.2C9H13NO.C7H16O/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-13(2)17-12-14-8-6-7-11-16(14)18(17)21(19,20)15-9-4-3-5-10-15;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-8-12;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-10(2)9-11(3)12-7-5-4-6-8-12;1-9(2)7-8-10-5-3-4-6-11(10)15(12,13)14;1-8(2)9-4-6-10(7-5-9)11-14(3,12)13;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)11-7-9-3-5-10-6-4-9;1-6(2)5-8-7(3)4/h4-12,15H,13-14H2,1-3H3;3-13,18H,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);6-8H,1-5H3,(H2,13,14);4-6H,7H2,1-3H3,(H,13,14);4-5,8-9H,6-7H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3,(H2,12,13,14);4-8,11H,1-3H3;3-8H,1-2H3,(H,11,12);4-7H,1-3H3;3-6,8H,7H2,1-2H3;6-7H,5H2,1-4H3/b;;;;;;;11-9-;8-7+;;;;;
InChIKeyGQJOUXNVKDCINB-PVSLCCCQSA-N
XLogP38.86
TPSA361.10 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002779.01
LogP ≤ 538.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methylsulfonyl-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157205599
1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1-methyl-2,3-dihydroindole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide
CID 158163238
2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;4-propan-2-ylbenzenesulfonamide
CID 158586244
N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
CID 158795512
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 158803601
1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;2-methoxy-5-propan-2-ylpyridine;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;[(Z)-4-methylpent-2-en-2-yl]benzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 159042742
tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2-tert-butyl-1-(4-fluorophenyl)sulfonyl-1H-indene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
CID 159080704
(2R)-2-[3-[1-(benzenesulfonyl)indol-5-yl]phenyl]-N-(cyanomethyl)-4-methylpentanamide;(2R)-N-(cyanomethyl)-2-[3-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-5-yl]phenyl]-4-methylpentanamide;N-(cyanomethyl)-2-[3-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-2-oxopyrazin-1-yl]-4-methylpentanamide;(2R)-N-(cyanomethyl)-4-methyl-2-[3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]phenyl]pentanamide;(2S)-N-(cyanomethyl)-4-methyl-2-[2-oxo-3-(4-piperazin-1-ylphenyl)pyrazin-1-yl]pentanamide;N-(cyanomethyl)-4-methyl-2-[2-oxo-5-(4-piperazin-1-ylphenyl)-1-pyridinyl]pentanamide;(2R)-N-(cyanomethyl)-4-methyl-2-[3-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]pentanamide
CID 159658724
1-(Benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate
CID 159873161
5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;1,6-dimethyl-5-propan-2-ylindazole;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;3-[(E)-3-methylbut-1-enyl]pyridine;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-1-propan-2-yloxypropane;propan-2-yloxymethylcyclopropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide
CID 160132336
1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine
CID 161106203
(4R)-6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-4-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide;(4R)-6-(6-methoxy-3-pyridinyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(2-oxo-1,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide
CID 161229954

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide (CID 158334230) is 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide is C/C(=C/C(C)C)c1ccccc1.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)C(=O)Nc1ccccc1.CC(C)C1=Cc2ccccc2C1S(=O)(=O)c1ccccc1.CC(C)COC(C)C.CC(C)OCc1ccncc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)CCN2C.COc1ccc(C(C)C)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is GQJOUXNVKDCINB-PVSLCCCQSA-N. The full InChI is InChI=1S/C20H23N.C18H18O2S.C15H22N2O.C13H17NO.C12H20N2O.C12H15NO.C12H17N.C12H16.C11H15NO2S.C10H15NO2S.C10H13NO.2C9H13NO.C7H16O/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-13(2)17-12-14-8-6-7-11-16(14)18(17)21(19,20)15-9-4-3-5-10-15;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-8-12;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-10(2)9-11(3)12-7-5-4-6-8-12;1-9(2)7-8-10-5-3-4-6-11(10)15(12,13)14;1-8(2)9-4-6-10(7-5-9)11-14(3,12)13;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)11-7-9-3-5-10-6-4-9;1-6(2)5-8-7(3)4/h4-12,15H,13-14H2,1-3H3;3-13,18H,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);6-8H,1-5H3,(H2,13,14);4-6H,7H2,1-3H3,(H,13,14);4-5,8-9H,6-7H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3,(H2,12,13,14);4-8,11H,1-3H3;3-8H,1-2H3,(H,11,12);4-7H,1-3H3;3-6,8H,7H2,1-2H3;6-7H,5H2,1-4H3/b;;;;;;;11-9-;8-7+;;;;;.
What are the key properties of 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide?
1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 2779.01 g/mol, XLogP of 38.86, 32 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 158334230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).