3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide

C19H22N2O3S — CID 46539927

IUPAC3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H22N2O3S/c22-18(13-14-20-25(23,24)17-9-5-2-6-10-17)21-19(16-11-12-16)15-7-3-1-4-8-15/h1-10,16,19-20H,11-14H2,(H,21,22)
InChIKeyXUZHERQLAQCEHX-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.62
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide

3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide (PubChem CID 46539927) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide
PubChem CID46539927
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C19H22N2O3S/c22-18(13-14-20-25(23,24)17-9-5-2-6-10-17)21-19(16-11-12-16)15-7-3-1-4-8-15/h1-10,16,19-20H,11-14H2,(H,21,22)
InChIKeyXUZHERQLAQCEHX-UHFFFAOYSA-N
XLogP2.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86960267
3-(benzenesulfonamido)-N-cyclohexylpropanamide
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N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51334368
7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
CID 119698485
N-[3-[[cyclopropyl(phenyl)methyl]amino]-3-oxopropyl]adamantane-1-carboxamide
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3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 17225917
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 55523885
5-(benzylsulfamoyl)-N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 42937358
5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 31514219

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide (CID 46539927) is 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)NC(c1ccccc1)C1CC1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide?
The InChIKey is XUZHERQLAQCEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(13-14-20-25(23,24)17-9-5-2-6-10-17)21-19(16-11-12-16)15-7-3-1-4-8-15/h1-10,16,19-20H,11-14H2,(H,21,22).
What are the key properties of 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide?
3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide has a molecular weight of 358.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide is sourced from PubChem (CID 46539927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).