N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide

C16H14BrNO2S — CID 2561582

IUPACN-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2S/c1-11(19)14-4-2-3-5-15(14)18-16(20)10-21-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyZHTKMOZSHQDEJF-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.38
Rot. Bonds5

About N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide

N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide (PubChem CID 2561582) has the molecular formula C16H14BrNO2S and a molecular weight of 364.26 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide
PubChem CID2561582
Molecular FormulaC16H14BrNO2S
Molecular Weight364.26 g/mol
Exact Mass362.99
IUPAC NameN-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2S/c1-11(19)14-4-2-3-5-15(14)18-16(20)10-21-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyZHTKMOZSHQDEJF-UHFFFAOYSA-N
XLogP4.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 2352126
N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468515
N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7363976
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid
CID 24991816
[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642247
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46616572
2-[[4-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785264
N-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 23097520
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 7924484
2-[[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzamide
CID 22777221
[2-(2-acetylanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486754

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide (CID 2561582) is N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide is CC(=O)c1ccccc1NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
The InChIKey is ZHTKMOZSHQDEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2S/c1-11(19)14-4-2-3-5-15(14)18-16(20)10-21-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide has a molecular weight of 364.26 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide is sourced from PubChem (CID 2561582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).