(2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide

C123H158N32O21S7 — CID 157304475

IUPAC(2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(N)nc(N)n2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(N)ncn2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cccc(N)n2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccnc(N)c2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccncc2)c1.CCc1cc(-c2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)nc(N)n1
InChIInChI=1S/C22H25N5O3S.C18H25N5O3S.2C17H22N4O3S.C17H21N3O3S.C16H22N6O3S.C16H21N5O3S/c1-14(2)11-18(23)21(28)27-31(29,30)17-10-6-9-16(12-17)20-13-19(25-22(24)26-20)15-7-4-3-5-8-15;1-4-13-10-16(22-18(20)21-13)12-6-5-7-14(9-12)27(25,26)23-17(24)15(19)8-11(2)3;1-11(2)9-14(18)17(22)21-25(23,24)13-6-3-5-12(10-13)15-7-4-8-16(19)20-15;1-11(2)8-15(18)17(22)21-25(23,24)14-5-3-4-12(9-14)13-6-7-20-16(19)10-13;1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13;1-9(2)6-12(17)15(23)22-26(24,25)11-5-3-4-10(7-11)13-8-14(18)21-16(19)20-13;1-10(2)6-13(17)16(22)21-25(23,24)12-5-3-4-11(7-12)14-8-15(18)20-9-19-14/h3-10,12-14,18H,11,23H2,1-2H3,(H,27,28)(H2,24,25,26);5-7,9-11,15H,4,8,19H2,1-3H3,(H,23,24)(H2,20,21,22);3-8,10-11,14H,9,18H2,1-2H3,(H2,19,20)(H,21,22);3-7,9-11,15H,8,18H2,1-2H3,(H2,19,20)(H,21,22);3-9,11-12,16H,10,18H2,1-2H3,(H,20,21);3-5,7-9,12H,6,17H2,1-2H3,(H,22,23)(H4,18,19,20,21);3-5,7-10,13H,6,17H2,1-2H3,(H,21,22)(H2,18,19,20)/t18-;15-;14-;15-;16-;12-;13-/m0000000/s1
InChIKeyBCHGQQQQGDPERM-GSMYUAQLSA-N
MW2645.29 g/mol
LogP10.37
Rot. Bonds44

About (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide

(2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide (PubChem CID 157304475) has the molecular formula C123H158N32O21S7 and a molecular weight of 2645.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
PubChem CID157304475
Molecular FormulaC123H158N32O21S7
Molecular Weight2645.29 g/mol
Exact Mass2643.03
IUPAC Name(2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(N)nc(N)n2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(N)ncn2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cccc(N)n2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccnc(N)c2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccncc2)c1.CCc1cc(-c2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)nc(N)n1
InChIInChI=1S/C22H25N5O3S.C18H25N5O3S.2C17H22N4O3S.C17H21N3O3S.C16H22N6O3S.C16H21N5O3S/c1-14(2)11-18(23)21(28)27-31(29,30)17-10-6-9-16(12-17)20-13-19(25-22(24)26-20)15-7-4-3-5-8-15;1-4-13-10-16(22-18(20)21-13)12-6-5-7-14(9-12)27(25,26)23-17(24)15(19)8-11(2)3;1-11(2)9-14(18)17(22)21-25(23,24)13-6-3-5-12(10-13)15-7-4-8-16(19)20-15;1-11(2)8-15(18)17(22)21-25(23,24)14-5-3-4-12(9-14)13-6-7-20-16(19)10-13;1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13;1-9(2)6-12(17)15(23)22-26(24,25)11-5-3-4-10(7-11)13-8-14(18)21-16(19)20-13;1-10(2)6-13(17)16(22)21-25(23,24)12-5-3-4-11(7-12)14-8-15(18)20-9-19-14/h3-10,12-14,18H,11,23H2,1-2H3,(H,27,28)(H2,24,25,26);5-7,9-11,15H,4,8,19H2,1-3H3,(H,23,24)(H2,20,21,22);3-8,10-11,14H,9,18H2,1-2H3,(H2,19,20)(H,21,22);3-7,9-11,15H,8,18H2,1-2H3,(H2,19,20)(H,21,22);3-9,11-12,16H,10,18H2,1-2H3,(H,20,21);3-5,7-9,12H,6,17H2,1-2H3,(H,22,23)(H4,18,19,20,21);3-5,7-10,13H,6,17H2,1-2H3,(H,21,22)(H2,18,19,20)/t18-;15-;14-;15-;16-;12-;13-/m0000000/s1
InChIKeyBCHGQQQQGDPERM-GSMYUAQLSA-N
XLogP10.37
TPSA948.75 Ų
H-Bond Donors21
H-Bond Acceptors46
Rotatable Bonds44
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002645.29
LogP ≤ 510.37
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1046

Analyze (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide with MolForge

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Related Compounds

N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-sulfamoyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide
CID 164628829
N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylpropanamide
CID 67271863
4-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylphenyl]sulfinylpiperazin-2-one;2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfinamide
CID 144679248
(E)-3-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]sulfonylphenyl]prop-2-enamide;(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-[4-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]but-3-en-2-one;(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-(5-fluoro-2-methylphenyl)but-3-en-2-one;(E)-3-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 158054601
N-[4-[2-[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
CID 160586713
3-Propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;2-propan-2-ylpyridine-4-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide
CID 157132423
3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 157368061
4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-phenylpiperazine-1-carboxamide;N-[4-[2-[4-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
CID 157551144
2-amino-N-(benzenesulfinyl)-2-phenylacetamide;2-amino-N-(3-ethenylphenyl)sulfinyl-4-methylpentanamide;2-amino-N-(3-fluorophenyl)sulfinylbutanamide;2-amino-N-isoquinolin-3-ylsulfinyl-4-methylpentanamide;2-amino-N-isoquinolin-6-ylsulfinyl-4-methylpentanamide;2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide;2-amino-4-methyl-N-pyridin-2-ylsulfinylpentanamide;2-amino-4-methyl-N-pyridin-4-ylsulfinylpentanamide;2-amino-4-methyl-N-pyrimidin-2-ylsulfinylpentanamide;2-amino-4-methyl-N-quinolin-2-ylsulfinylpentanamide
CID 157565961
(2S)-2-amino-N-[3-[2-amino-6-(dimethylamino)pyrimidin-4-yl]phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-3-cyclobutylpropanamide;(2S)-2-amino-N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide;(2S)-2-amino-N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-3-cyclohexylpropanamide;(2S)-2-amino-N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclopropylacetamide;(2S)-2-amino-N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-3-cyclopropylpropanamide;(2S)-2-amino-N-[3-(2-amino-6-methylsulfanylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide
CID 157647931
(7R)-2-(3-amino-4-pyridinyl)-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one;benzenesulfonyl chloride;N-[4-[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 158418365
6-[(1-benzhydrylazetidin-3-yl)amino]-N-hydroxypyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 158647466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide (CID 157304475) is (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide is CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(N)nc(N)n2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cc(N)ncn2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2cccc(N)n2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccnc(N)c2)c1.CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccncc2)c1.CCc1cc(-c2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)nc(N)n1.
What is the InChIKey of (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
The InChIKey is BCHGQQQQGDPERM-GSMYUAQLSA-N. The full InChI is InChI=1S/C22H25N5O3S.C18H25N5O3S.2C17H22N4O3S.C17H21N3O3S.C16H22N6O3S.C16H21N5O3S/c1-14(2)11-18(23)21(28)27-31(29,30)17-10-6-9-16(12-17)20-13-19(25-22(24)26-20)15-7-4-3-5-8-15;1-4-13-10-16(22-18(20)21-13)12-6-5-7-14(9-12)27(25,26)23-17(24)15(19)8-11(2)3;1-11(2)9-14(18)17(22)21-25(23,24)13-6-3-5-12(10-13)15-7-4-8-16(19)20-15;1-11(2)8-15(18)17(22)21-25(23,24)14-5-3-4-12(9-14)13-6-7-20-16(19)10-13;1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13;1-9(2)6-12(17)15(23)22-26(24,25)11-5-3-4-10(7-11)13-8-14(18)21-16(19)20-13;1-10(2)6-13(17)16(22)21-25(23,24)12-5-3-4-11(7-12)14-8-15(18)20-9-19-14/h3-10,12-14,18H,11,23H2,1-2H3,(H,27,28)(H2,24,25,26);5-7,9-11,15H,4,8,19H2,1-3H3,(H,23,24)(H2,20,21,22);3-8,10-11,14H,9,18H2,1-2H3,(H2,19,20)(H,21,22);3-7,9-11,15H,8,18H2,1-2H3,(H2,19,20)(H,21,22);3-9,11-12,16H,10,18H2,1-2H3,(H,20,21);3-5,7-9,12H,6,17H2,1-2H3,(H,22,23)(H4,18,19,20,21);3-5,7-10,13H,6,17H2,1-2H3,(H,21,22)(H2,18,19,20)/t18-;15-;14-;15-;16-;12-;13-/m0000000/s1.
What are the key properties of (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide?
(2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide has a molecular weight of 2645.29 g/mol, XLogP of 10.37, 44 rotatable bonds, 21 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide is sourced from PubChem (CID 157304475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).