2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide

C24H21ClN2O3S — CID 30291970

IUPAC2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c(Cl)c1
InChIInChI=1S/C24H21ClN2O3S/c1-17-11-12-21(20(25)13-17)26-24(28)15-27-14-23(19-9-5-6-10-22(19)27)31(29,30)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyCGBBSHUFXJCAQC-UHFFFAOYSA-N
MW452.96 g/mol
LogP5.22
Rot. Bonds6

About 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide

2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 30291970) has the molecular formula C24H21ClN2O3S and a molecular weight of 452.96 g/mol. Its IUPAC name is 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID30291970
Molecular FormulaC24H21ClN2O3S
Molecular Weight452.96 g/mol
Exact Mass452.10
IUPAC Name2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c(Cl)c1
InChIInChI=1S/C24H21ClN2O3S/c1-17-11-12-21(20(25)13-17)26-24(28)15-27-14-23(19-9-5-6-10-22(19)27)31(29,30)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyCGBBSHUFXJCAQC-UHFFFAOYSA-N
XLogP5.22
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.96
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292664
2-(3-benzylsulfonylindol-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 30558854
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911133
2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 12005987
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292518
N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292716
N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735
N-(3-bromophenyl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559570

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide (CID 30291970) is 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c(Cl)c1.
What is the InChIKey of 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is CGBBSHUFXJCAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3S/c1-17-11-12-21(20(25)13-17)26-24(28)15-27-14-23(19-9-5-6-10-22(19)27)31(29,30)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,28).
What are the key properties of 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide?
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 452.96 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 30291970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).