N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide

C25H23ClN2O3S — CID 30292664

IUPACN-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3Cl)c3ccccc23)c1
InChIInChI=1S/C25H23ClN2O3S/c1-17-11-12-18(2)19(13-17)16-32(30,31)24-14-28(23-10-6-3-7-20(23)24)15-25(29)27-22-9-5-4-8-21(22)26/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyOAJMLLPOZROYOG-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.52
Rot. Bonds6

About N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide

N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30292664) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30292664
Molecular FormulaC25H23ClN2O3S
Molecular Weight466.99 g/mol
Exact Mass466.11
IUPAC NameN-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3Cl)c3ccccc23)c1
InChIInChI=1S/C25H23ClN2O3S/c1-17-11-12-18(2)19(13-17)16-32(30,31)24-14-28(23-10-6-3-7-20(23)24)15-25(29)27-22-9-5-4-8-21(22)26/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyOAJMLLPOZROYOG-UHFFFAOYSA-N
XLogP5.52
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.52
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
N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117
2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30559286
N-(2,5-dimethylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292470
methyl 2-[[2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 20911257
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 20911238
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292673
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30292664) is N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide is Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3Cl)c3ccccc23)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is OAJMLLPOZROYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/c1-17-11-12-18(2)19(13-17)16-32(30,31)24-14-28(23-10-6-3-7-20(23)24)15-25(29)27-22-9-5-4-8-21(22)26/h3-14H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 466.99 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30292664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).