N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane

C23H28ClN3O4S — CID 142861988

IUPACN-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane
SMILESCC.Cc1cccc(S(=O)(=O)c2c(C(=O)NC(C)C(C)C(N)=O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C21H22ClN3O4S.C2H6/c1-11-5-4-6-15(9-11)30(28,29)19-16-10-14(22)7-8-17(16)25-18(19)21(27)24-13(3)12(2)20(23)26;1-2/h4-10,12-13,25H,1-3H3,(H2,23,26)(H,24,27);1-2H3
InChIKeyPHRXVHHCYWJPPQ-UHFFFAOYSA-N
MW478.01 g/mol
LogP4.23
Rot. Bonds6

About N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane

N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane (PubChem CID 142861988) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane.

Molecular Properties

Compound NameN-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane
PubChem CID142861988
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC NameN-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane
SMILESCC.Cc1cccc(S(=O)(=O)c2c(C(=O)NC(C)C(C)C(N)=O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C21H22ClN3O4S.C2H6/c1-11-5-4-6-15(9-11)30(28,29)19-16-10-14(22)7-8-17(16)25-18(19)21(27)24-13(3)12(2)20(23)26;1-2/h4-10,12-13,25H,1-3H3,(H2,23,26)(H,24,27);1-2H3
InChIKeyPHRXVHHCYWJPPQ-UHFFFAOYSA-N
XLogP4.23
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 162645271
N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 3010616
N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 155565781
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide
CID 162650463
N-(1-amino-1-oxopropan-2-yl)-5-bromo-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 44592291
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 3013828
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 90676827
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 506872
ethyl 2-[[2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
CID 11318113
5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 22401464
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 51353994

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane?
The IUPAC name of N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane (CID 142861988) is N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane.
What is the SMILES notation for N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane?
The canonical SMILES for N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane is CC.Cc1cccc(S(=O)(=O)c2c(C(=O)NC(C)C(C)C(N)=O)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane?
The InChIKey is PHRXVHHCYWJPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S.C2H6/c1-11-5-4-6-15(9-11)30(28,29)19-16-10-14(22)7-8-17(16)25-18(19)21(27)24-13(3)12(2)20(23)26;1-2/h4-10,12-13,25H,1-3H3,(H2,23,26)(H,24,27);1-2H3.
What are the key properties of N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane?
N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane has a molecular weight of 478.01 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane is sourced from PubChem (CID 142861988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).