3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide

C17H19BrN2O3S — CID 55346369

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O3S/c1-13(14-6-3-2-4-7-14)20-17(21)10-11-19-24(22,23)16-9-5-8-15(18)12-16/h2-9,12-13,19H,10-11H2,1H3,(H,20,21)
InChIKeyKCAKKYFGHYHNFH-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.99
Rot. Bonds7

About 3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide

3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide (PubChem CID 55346369) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
PubChem CID55346369
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O3S/c1-13(14-6-3-2-4-7-14)20-17(21)10-11-19-24(22,23)16-9-5-8-15(18)12-16/h2-9,12-13,19H,10-11H2,1H3,(H,20,21)
InChIKeyKCAKKYFGHYHNFH-UHFFFAOYSA-N
XLogP2.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582
N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55576753
N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 43873841
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 55408679
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34762575
3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 52990856
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide (CID 55346369) is 3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
The InChIKey is KCAKKYFGHYHNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-13(14-6-3-2-4-7-14)20-17(21)10-11-19-24(22,23)16-9-5-8-15(18)12-16/h2-9,12-13,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide has a molecular weight of 411.32 g/mol, XLogP of 2.99, 7 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-(1-phenylethyl)propanamide is sourced from PubChem (CID 55346369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).