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

C15H12BrF2NOS — CID 7737193

IUPACN-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1Br
InChIInChI=1S/C15H12BrF2NOS/c1-9-2-3-10(6-12(9)16)19-15(20)8-21-11-4-5-13(17)14(18)7-11/h2-7H,8H2,1H3,(H,19,20)
InChIKeyWWPBYMICVYYOAV-UHFFFAOYSA-N
MW372.23 g/mol
LogP4.77
Rot. Bonds4

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

N-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (PubChem CID 7737193) has the molecular formula C15H12BrF2NOS and a molecular weight of 372.23 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
PubChem CID7737193
Molecular FormulaC15H12BrF2NOS
Molecular Weight372.23 g/mol
Exact Mass370.98
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1Br
InChIInChI=1S/C15H12BrF2NOS/c1-9-2-3-10(6-12(9)16)19-15(20)8-21-11-4-5-13(17)14(18)7-11/h2-7H,8H2,1H3,(H,19,20)
InChIKeyWWPBYMICVYYOAV-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (CID 7737193) is N-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The InChIKey is WWPBYMICVYYOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NOS/c1-9-2-3-10(6-12(9)16)19-15(20)8-21-11-4-5-13(17)14(18)7-11/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
N-(3-bromo-4-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-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7737193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).