2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide

C23H18BrClN2OS — CID 4581043

IUPAC2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1cn(Cc2ccc(Br)cc2)c2ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C23H18BrClN2OS/c24-17-10-8-16(9-11-17)13-27-14-22(20-6-1-2-7-21(20)27)29-15-23(28)26-19-5-3-4-18(25)12-19/h1-12,14H,13,15H2,(H,26,28)
InChIKeyCGLQQBUOBLEHPX-UHFFFAOYSA-N
MW485.83 g/mol
LogP6.84
Rot. Bonds6

About 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide

2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide (PubChem CID 4581043) has the molecular formula C23H18BrClN2OS and a molecular weight of 485.83 g/mol. Its IUPAC name is 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
PubChem CID4581043
Molecular FormulaC23H18BrClN2OS
Molecular Weight485.83 g/mol
Exact Mass484.00
IUPAC Name2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1cn(Cc2ccc(Br)cc2)c2ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C23H18BrClN2OS/c24-17-10-8-16(9-11-17)13-27-14-22(20-6-1-2-7-21(20)27)29-15-23(28)26-19-5-3-4-18(25)12-19/h1-12,14H,13,15H2,(H,26,28)
InChIKeyCGLQQBUOBLEHPX-UHFFFAOYSA-N
XLogP6.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.83
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4126627
N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4192226
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4608403
N-(3-chlorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902406
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4199281
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-[2-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide
CID 3275644
N-[2-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide
CID 5003146
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4549920

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide (CID 4581043) is 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide is O=C(CSc1cn(Cc2ccc(Br)cc2)c2ccccc12)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide?
The InChIKey is CGLQQBUOBLEHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN2OS/c24-17-10-8-16(9-11-17)13-27-14-22(20-6-1-2-7-21(20)27)29-15-23(28)26-19-5-3-4-18(25)12-19/h1-12,14H,13,15H2,(H,26,28).
What are the key properties of 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide?
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide has a molecular weight of 485.83 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 4581043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).