2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide

C16H17BrN2O3S2 — CID 4876024

IUPAC2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C16H17BrN2O3S2/c1-23-15-9-4-3-8-14(15)18-16(20)11-19(24(2,21)22)13-7-5-6-12(17)10-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyUKGALCHADUNSIK-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.58
Rot. Bonds6

About 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide

2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 4876024) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID4876024
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC Name2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C16H17BrN2O3S2/c1-23-15-9-4-3-8-14(15)18-16(20)11-19(24(2,21)22)13-7-5-6-12(17)10-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyUKGALCHADUNSIK-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide 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

2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 17052672
2-(2-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 2209148
2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
CID 2210419
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
CID 30168807
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 2224672
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
2-(3-bromo-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28589865
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide
CID 30169534
2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 999619
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide
CID 126268693
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 92686139
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide (CID 4876024) is 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is UKGALCHADUNSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c1-23-15-9-4-3-8-14(15)18-16(20)11-19(24(2,21)22)13-7-5-6-12(17)10-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 429.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 4876024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).