N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide

C15H12BrF2NOS — CID 9055699

IUPACN-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESCc1cc(Br)ccc1NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C15H12BrF2NOS/c1-9-6-10(16)2-5-14(9)19-15(20)8-21-11-3-4-12(17)13(18)7-11/h2-7H,8H2,1H3,(H,19,20)
InChIKeyVXCXJTLLGNUNJF-UHFFFAOYSA-N
MW372.23 g/mol
LogP4.77
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide

N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (PubChem CID 9055699) has the molecular formula C15H12BrF2NOS and a molecular weight of 372.23 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
PubChem CID9055699
Molecular FormulaC15H12BrF2NOS
Molecular Weight372.23 g/mol
Exact Mass370.98
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESCc1cc(Br)ccc1NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C15H12BrF2NOS/c1-9-6-10(16)2-5-14(9)19-15(20)8-21-11-3-4-12(17)13(18)7-11/h2-7H,8H2,1H3,(H,19,20)
InChIKeyVXCXJTLLGNUNJF-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide 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

N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 55905900
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 7924484
N'-(4-bromo-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666
2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 79129889
2-(5-bromo-2-methylphenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 1180161
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55707977
N-(4-bromo-2-methylphenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]acetamide
CID 2606649
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (CID 9055699) is N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is Cc1cc(Br)ccc1NC(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The InChIKey is VXCXJTLLGNUNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NOS/c1-9-6-10(16)2-5-14(9)19-15(20)8-21-11-3-4-12(17)13(18)7-11/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide has a molecular weight of 372.23 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 9055699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).