N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

C24H21ClN2O3S — CID 16935677

IUPACN-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cc(Cl)ccc3C)c3ccccc23)cc1
InChIInChI=1S/C24H21ClN2O3S/c1-16-7-11-19(12-8-16)31(29,30)23-14-27(22-6-4-3-5-20(22)23)15-24(28)26-21-13-18(25)10-9-17(21)2/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyNTBBHAXWSKLIHK-UHFFFAOYSA-N
MW452.96 g/mol
LogP5.38
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16935677) has the molecular formula C24H21ClN2O3S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
PubChem CID16935677
Molecular FormulaC24H21ClN2O3S
Molecular Weight452.96 g/mol
Exact Mass452.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cc(Cl)ccc3C)c3ccccc23)cc1
InChIInChI=1S/C24H21ClN2O3S/c1-16-7-11-19(12-8-16)31(29,30)23-14-27(22-6-4-3-5-20(22)23)15-24(28)26-21-13-18(25)10-9-17(21)2/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyNTBBHAXWSKLIHK-UHFFFAOYSA-N
XLogP5.38
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.96
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292716
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16935862
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
CID 16935688
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
N-(4-chlorophenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2137845
N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292664
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16935690

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (CID 16935677) is N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cc(Cl)ccc3C)c3ccccc23)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is NTBBHAXWSKLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3S/c1-16-7-11-19(12-8-16)31(29,30)23-14-27(22-6-4-3-5-20(22)23)15-24(28)26-21-13-18(25)10-9-17(21)2/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 452.96 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16935677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).