N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide

C26H21ClN2O6S — CID 71600681

IUPACN-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NS(=O)(=O)c1ccc(C(C)=O)cc1)cn2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClN2O6S/c1-16(30)17-5-10-22(11-6-17)36(33,34)28-25(31)13-19-15-29(24-12-9-21(35-2)14-23(19)24)26(32)18-3-7-20(27)8-4-18/h3-12,14-15H,13H2,1-2H3,(H,28,31)
InChIKeyHWEBOEBPKPYBPS-UHFFFAOYSA-N
MW524.98 g/mol
LogP4.24
Rot. Bonds7

About N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide

N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide (PubChem CID 71600681) has the molecular formula C26H21ClN2O6S and a molecular weight of 524.98 g/mol. Its IUPAC name is N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide
PubChem CID71600681
Molecular FormulaC26H21ClN2O6S
Molecular Weight524.98 g/mol
Exact Mass524.08
IUPAC NameN-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NS(=O)(=O)c1ccc(C(C)=O)cc1)cn2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClN2O6S/c1-16(30)17-5-10-22(11-6-17)36(33,34)28-25(31)13-19-15-29(24-12-9-21(35-2)14-23(19)24)26(32)18-3-7-20(27)8-4-18/h3-12,14-15H,13H2,1-2H3,(H,28,31)
InChIKeyHWEBOEBPKPYBPS-UHFFFAOYSA-N
XLogP4.24
TPSA111.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.98
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 166450376
N-(benzenesulfonyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 166450342
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
5-[[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]amino]-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid
CID 58232709
methyl 3-[1-(4-chlorophenyl)sulfonyl-5-methoxyindol-3-yl]propanoate
CID 18450017
(4-chloro-3-nitrophenyl)-[3-(hydroxymethyl)-5-methoxyindol-1-yl]methanone
CID 25118390
1-[3-[[2-(4-chlorophenoxy)anilino]methyl]-5-methoxyindol-1-yl]ethanone
CID 42614024
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 4090966
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 6916018
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide (CID 71600681) is N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide is COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)c1ccc(C(C)=O)cc1)cn2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide?
The InChIKey is HWEBOEBPKPYBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O6S/c1-16(30)17-5-10-22(11-6-17)36(33,34)28-25(31)13-19-15-29(24-12-9-21(35-2)14-23(19)24)26(32)18-3-7-20(27)8-4-18/h3-12,14-15H,13H2,1-2H3,(H,28,31).
What are the key properties of N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide?
N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide has a molecular weight of 524.98 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)sulfonyl-2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetamide is sourced from PubChem (CID 71600681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).