N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide

C15H13BrClNOS — CID 2498956

IUPACN-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccc2Cl)ccc1Br
InChIInChI=1S/C15H13BrClNOS/c1-10-8-11(6-7-12(10)16)18-15(19)9-20-14-5-3-2-4-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyKGJFZQUFHHGCRK-UHFFFAOYSA-N
MW370.70 g/mol
LogP5.14
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide

N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide (PubChem CID 2498956) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
PubChem CID2498956
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccc2Cl)ccc1Br
InChIInChI=1S/C15H13BrClNOS/c1-10-8-11(6-7-12(10)16)18-15(19)9-20-14-5-3-2-4-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyKGJFZQUFHHGCRK-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.70
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
CID 79130220
N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 35824178
2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 6486794
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7761053
N'-(4-bromo-3-methylphenyl)-N-[(2-chlorophenyl)methyl]propanediamide
CID 108946659
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
CID 16553113
2-(2-chlorophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 5028291
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 31456340
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide (CID 2498956) is N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide is Cc1cc(NC(=O)CSc2ccccc2Cl)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The InChIKey is KGJFZQUFHHGCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c1-10-8-11(6-7-12(10)16)18-15(19)9-20-14-5-3-2-4-13(14)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide?
N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide has a molecular weight of 370.70 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2498956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).