3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide

C17H19BrN2O3S — CID 26696299

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-12-8-13(2)10-15(9-12)20-17(21)6-7-19-24(22,23)16-5-3-4-14(18)11-16/h3-5,8-11,19H,6-7H2,1-2H3,(H,20,21)
InChIKeyXFEFILUGZPWRMY-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.37
Rot. Bonds6

About 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide

3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 26696299) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
PubChem CID26696299
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-12-8-13(2)10-15(9-12)20-17(21)6-7-19-24(22,23)16-5-3-4-14(18)11-16/h3-5,8-11,19H,6-7H2,1-2H3,(H,20,21)
InChIKeyXFEFILUGZPWRMY-UHFFFAOYSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide 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

3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193
3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 9412446
3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505773
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55950292
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide (CID 26696299) is 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is XFEFILUGZPWRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-12-8-13(2)10-15(9-12)20-17(21)6-7-19-24(22,23)16-5-3-4-14(18)11-16/h3-5,8-11,19H,6-7H2,1-2H3,(H,20,21).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 411.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 26696299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).