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

C29H24ClN3O3S — CID 43958485

IUPACN-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C29H24ClN3O3S/c30-22-12-10-21(11-13-22)20-37(35,36)28-18-33(27-9-5-4-8-26(27)28)19-29(34)32-25-16-14-24(15-17-25)31-23-6-2-1-3-7-23/h1-18,31H,19-20H2,(H,32,34)
InChIKeyXCPVUFBPHSSXJL-UHFFFAOYSA-N
MW530.05 g/mol
LogP6.65
Rot. Bonds8

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

N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 43958485) has the molecular formula C29H24ClN3O3S and a molecular weight of 530.05 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID43958485
Molecular FormulaC29H24ClN3O3S
Molecular Weight530.05 g/mol
Exact Mass529.12
IUPAC NameN-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C29H24ClN3O3S/c30-22-12-10-21(11-13-22)20-37(35,36)28-18-33(27-9-5-4-8-26(27)28)19-29(34)32-25-16-14-24(15-17-25)31-23-6-2-1-3-7-23/h1-18,31H,19-20H2,(H,32,34)
InChIKeyXCPVUFBPHSSXJL-UHFFFAOYSA-N
XLogP6.65
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.05
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 20911238
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30561207
2-(3-benzylsulfonylindol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30558781
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30292022
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 30559600
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
N-[4-(dimethylamino)phenyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911097
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 20911248

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide (CID 43958485) is N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide is O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is XCPVUFBPHSSXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O3S/c30-22-12-10-21(11-13-22)20-37(35,36)28-18-33(27-9-5-4-8-26(27)28)19-29(34)32-25-16-14-24(15-17-25)31-23-6-2-1-3-7-23/h1-18,31H,19-20H2,(H,32,34).
What are the key properties of N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 530.05 g/mol, XLogP of 6.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 43958485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).