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

C15H13Br2NOS — CID 4097298

IUPACN-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C15H13Br2NOS/c1-10-8-12(4-7-14(10)17)18-15(19)9-20-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyGDJLZDMWHBFOBC-UHFFFAOYSA-N
MW415.15 g/mol
LogP5.25
Rot. Bonds4

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

N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide (PubChem CID 4097298) has the molecular formula C15H13Br2NOS and a molecular weight of 415.15 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
PubChem CID4097298
Molecular FormulaC15H13Br2NOS
Molecular Weight415.15 g/mol
Exact Mass412.91
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C15H13Br2NOS/c1-10-8-12(4-7-14(10)17)18-15(19)9-20-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyGDJLZDMWHBFOBC-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.15
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)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

CID 875433
CID 875433
CID 2486757
CID 2486757
CID 893673
CID 893673
CID 1252378
CID 1252378
CID 1303359
CID 1303359
CID 1338487
CID 1338487
CID 2301837
CID 2301837
CID 3457957
CID 3457957
CID 3457958
CID 3457958
CID 4293413
CID 4293413
CID 1343016
CID 1343016
CID 988415
CID 988415

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide (CID 4097298) is N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide is Cc1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
The InChIKey is GDJLZDMWHBFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NOS/c1-10-8-12(4-7-14(10)17)18-15(19)9-20-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
N-(4-bromo-3-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide has a molecular weight of 415.15 g/mol, XLogP of 5.25, 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-(4-bromophenyl)sulfanylacetamide is sourced from PubChem (CID 4097298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).