6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide

C145H152ClN19O23S8 — CID 159854591

IUPAC6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1.Cn1cnc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21.O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=NCc2ccccc21.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=NCc2ccccc21.O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CC=C2.O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cn2cc(Cl)ccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccccc2s1
InChIInChI=1S/C22H23N3O4S.C22H24N2O3S.2C21H22N2O3S.C20H22N4O3S.C20H20N2O4S2.C19H19ClN4O3S/c1-16-14-20(19-4-2-3-5-21(19)24-16)22(26)23-15-17-6-8-18(9-7-17)30(27,28)25-10-12-29-13-11-25;25-21(22-20-7-3-2-6-18(20)16-23-22)13-10-17-8-11-19(12-9-17)28(26,27)24-14-4-1-5-15-24;24-21(19-9-8-17-4-3-5-18(17)14-19)22-15-16-6-10-20(11-7-16)27(25,26)23-12-1-2-13-23;24-20(21-19-6-2-1-5-17(19)15-22-21)12-9-16-7-10-18(11-8-16)27(25,26)23-13-3-4-14-23;1-23-14-22-18-12-16(6-9-19(18)23)20(25)21-13-15-4-7-17(8-5-15)28(26,27)24-10-2-3-11-24;23-20(19-13-16-3-1-2-4-18(16)27-19)21-14-15-5-7-17(8-6-15)28(24,25)22-9-11-26-12-10-22;20-15-5-8-18-22-17(13-23(18)12-15)19(25)21-11-14-3-6-16(7-4-14)28(26,27)24-9-1-2-10-24/h2-9,14H,10-13,15H2,1H3,(H,23,26);2-3,6-9,11-12H,1,4-5,10,13-16H2;3-4,6-11,14H,1-2,5,12-13,15H2,(H,22,24);1-2,5-8,10-11H,3-4,9,12-15H2;4-9,12,14H,2-3,10-11,13H2,1H3,(H,21,25);1-8,13H,9-12,14H2,(H,21,23);3-8,12-13H,1-2,9-11H2,(H,21,25)
InChIKeyNQJCJCSIMDEISR-UHFFFAOYSA-N
MW2820.91 g/mol
LogP19.65
Rot. Bonds37

About 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide

6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide (PubChem CID 159854591) has the molecular formula C145H152ClN19O23S8 and a molecular weight of 2820.91 g/mol. Its IUPAC name is 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide
PubChem CID159854591
Molecular FormulaC145H152ClN19O23S8
Molecular Weight2820.91 g/mol
Exact Mass2817.88
IUPAC Name6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1.Cn1cnc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21.O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=NCc2ccccc21.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=NCc2ccccc21.O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CC=C2.O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cn2cc(Cl)ccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccccc2s1
InChIInChI=1S/C22H23N3O4S.C22H24N2O3S.2C21H22N2O3S.C20H22N4O3S.C20H20N2O4S2.C19H19ClN4O3S/c1-16-14-20(19-4-2-3-5-21(19)24-16)22(26)23-15-17-6-8-18(9-7-17)30(27,28)25-10-12-29-13-11-25;25-21(22-20-7-3-2-6-18(20)16-23-22)13-10-17-8-11-19(12-9-17)28(26,27)24-14-4-1-5-15-24;24-21(19-9-8-17-4-3-5-18(17)14-19)22-15-16-6-10-20(11-7-16)27(25,26)23-12-1-2-13-23;24-20(21-19-6-2-1-5-17(19)15-22-21)12-9-16-7-10-18(11-8-16)27(25,26)23-13-3-4-14-23;1-23-14-22-18-12-16(6-9-19(18)23)20(25)21-13-15-4-7-17(8-5-15)28(26,27)24-10-2-3-11-24;23-20(19-13-16-3-1-2-4-18(16)27-19)21-14-15-5-7-17(8-6-15)28(24,25)22-9-11-26-12-10-22;20-15-5-8-18-22-17(13-23(18)12-15)19(25)21-11-14-3-6-16(7-4-14)28(26,27)24-9-1-2-10-24/h2-9,14H,10-13,15H2,1H3,(H,23,26);2-3,6-9,11-12H,1,4-5,10,13-16H2;3-4,6-11,14H,1-2,5,12-13,15H2,(H,22,24);1-2,5-8,10-11H,3-4,9,12-15H2;4-9,12,14H,2-3,10-11,13H2,1H3,(H,21,25);1-8,13H,9-12,14H2,(H,21,23);3-8,12-13H,1-2,9-11H2,(H,21,25)
InChIKeyNQJCJCSIMDEISR-UHFFFAOYSA-N
XLogP19.65
TPSA532.49 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds37
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002820.91
LogP ≤ 519.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-methylidenequinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide;4-[4-[(dimethylamino)methyl]phenyl]-2-methylisoquinolin-1-one;5-ethyl-N'-(1-methylidene-1-oxothian-4-yl)-7-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxothieno[3,2-c]pyridine-2-carboximidamide;methane;1-[1-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl)-7-morpholin-4-ylindolizin-3-yl]ethanone
CID 168397379
2-[5-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]-2-pyridinyl]-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-[5-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]-2-pyridinyl]-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-[(dimethylamino)methyl]-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea
CID 157073850
2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-(1-methyl-4,5-dihydroimidazol-2-yl)-4H-isoquinoline-1,3-dione;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-(2-morpholin-4-ylethylamino)-4H-isoquinoline-1,3-dione;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-(2-pyrrolidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1,2,3,8-tetrahydropyrrolo[2,3-g]isoquinoline-5,7-dione
CID 157491126
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea
CID 157610367
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]-3-pyridinyl]urea
CID 158124273
CID 158547132
CID 158547132
CID 158589977
CID 158589977
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea
CID 158743516
3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(2-pyrrolidin-1-ylethylamino)quinazolin-4-one
CID 158795557
CID 158999746
CID 158999746
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-oxo-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-7-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]-3-pyridinyl]urea
CID 159382045
2,6-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;4-fluoro-3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(1-methylindol-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;7-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide
CID 159849755

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide?
The IUPAC name of 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide (CID 159854591) is 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide is Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1.Cn1cnc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21.O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=NCc2ccccc21.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=NCc2ccccc21.O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CC=C2.O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cn2cc(Cl)ccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccccc2s1.
What is the InChIKey of 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide?
The InChIKey is NQJCJCSIMDEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S.C22H24N2O3S.2C21H22N2O3S.C20H22N4O3S.C20H20N2O4S2.C19H19ClN4O3S/c1-16-14-20(19-4-2-3-5-21(19)24-16)22(26)23-15-17-6-8-18(9-7-17)30(27,28)25-10-12-29-13-11-25;25-21(22-20-7-3-2-6-18(20)16-23-22)13-10-17-8-11-19(12-9-17)28(26,27)24-14-4-1-5-15-24;24-21(19-9-8-17-4-3-5-18(17)14-19)22-15-16-6-10-20(11-7-16)27(25,26)23-12-1-2-13-23;24-20(21-19-6-2-1-5-17(19)15-22-21)12-9-16-7-10-18(11-8-16)27(25,26)23-13-3-4-14-23;1-23-14-22-18-12-16(6-9-19(18)23)20(25)21-13-15-4-7-17(8-5-15)28(26,27)24-10-2-3-11-24;23-20(19-13-16-3-1-2-4-18(16)27-19)21-14-15-5-7-17(8-6-15)28(24,25)22-9-11-26-12-10-22;20-15-5-8-18-22-17(13-23(18)12-15)19(25)21-11-14-3-6-16(7-4-14)28(26,27)24-9-1-2-10-24/h2-9,14H,10-13,15H2,1H3,(H,23,26);2-3,6-9,11-12H,1,4-5,10,13-16H2;3-4,6-11,14H,1-2,5,12-13,15H2,(H,22,24);1-2,5-8,10-11H,3-4,9,12-15H2;4-9,12,14H,2-3,10-11,13H2,1H3,(H,21,25);1-8,13H,9-12,14H2,(H,21,23);3-8,12-13H,1-2,9-11H2,(H,21,25).
What are the key properties of 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide?
6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide has a molecular weight of 2820.91 g/mol, XLogP of 19.65, 37 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(3H-isoindol-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(3H-isoindol-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzimidazole-5-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3H-indene-5-carboxamide is sourced from PubChem (CID 159854591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).