N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide

C24H20Cl2N2O3S — CID 30292117

IUPACN-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3cccc(Cl)c3)c3ccccc32)c(Cl)c1
InChIInChI=1S/C24H20Cl2N2O3S/c1-16-9-10-21(20(26)11-16)27-24(29)14-28-13-23(19-7-2-3-8-22(19)28)32(30,31)15-17-5-4-6-18(25)12-17/h2-13H,14-15H2,1H3,(H,27,29)
InChIKeyMCXKRXVYNGJSHC-UHFFFAOYSA-N
MW487.41 g/mol
LogP5.87
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide

N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30292117) has the molecular formula C24H20Cl2N2O3S and a molecular weight of 487.41 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30292117
Molecular FormulaC24H20Cl2N2O3S
Molecular Weight487.41 g/mol
Exact Mass486.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3cccc(Cl)c3)c3ccccc32)c(Cl)c1
InChIInChI=1S/C24H20Cl2N2O3S/c1-16-9-10-21(20(26)11-16)27-24(29)14-28-13-23(19-7-2-3-8-22(19)28)32(30,31)15-17-5-4-6-18(25)12-17/h2-13H,14-15H2,1H3,(H,27,29)
InChIKeyMCXKRXVYNGJSHC-UHFFFAOYSA-N
XLogP5.87
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.41
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 20911196
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
N-(2-methoxyphenyl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292518
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30292321
N-(5-chloro-2-methylphenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292716
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20911233
N-(4-chloro-2-fluorophenyl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292735
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-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292566

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30292117) is N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3cccc(Cl)c3)c3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is MCXKRXVYNGJSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3S/c1-16-9-10-21(20(26)11-16)27-24(29)14-28-13-23(19-7-2-3-8-22(19)28)32(30,31)15-17-5-4-6-18(25)12-17/h2-13H,14-15H2,1H3,(H,27,29).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 487.41 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30292117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).