3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide

C21H26N2O3S — CID 110615734

IUPAC3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide
SMILESCc1ccc(C(CC(=O)NCCS(=O)(=O)Nc2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-7-9-17(10-8-16)20(18-11-12-18)15-21(24)22-13-14-27(25,26)23-19-5-3-2-4-6-19/h2-10,18,20,23H,11-15H2,1H3,(H,22,24)
InChIKeyQNCRCQCUMWOVEU-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.44
Rot. Bonds9

About 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide

3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide (PubChem CID 110615734) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide
PubChem CID110615734
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide
SMILESCc1ccc(C(CC(=O)NCCS(=O)(=O)Nc2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-7-9-17(10-8-16)20(18-11-12-18)15-21(24)22-13-14-27(25,26)23-19-5-3-2-4-6-19/h2-10,18,20,23H,11-15H2,1H3,(H,22,24)
InChIKeyQNCRCQCUMWOVEU-UHFFFAOYSA-N
XLogP3.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide
CID 110304551
3-cyclohexyl-3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110354814
3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110301493
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601301
3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110306942
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110606798
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide
CID 110311105
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 110426976

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide (CID 110615734) is 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide is Cc1ccc(C(CC(=O)NCCS(=O)(=O)Nc2ccccc2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide?
The InChIKey is QNCRCQCUMWOVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-7-9-17(10-8-16)20(18-11-12-18)15-21(24)22-13-14-27(25,26)23-19-5-3-2-4-6-19/h2-10,18,20,23H,11-15H2,1H3,(H,22,24).
What are the key properties of 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide?
3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide has a molecular weight of 386.52 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 110615734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).