N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide

C15H22N2O3S — CID 79378081

IUPACN-cyclopropyl-3-(4-propylsulfonylanilino)propanamide
SMILESCCCS(=O)(=O)c1ccc(NCCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-11-21(19,20)14-7-5-12(6-8-14)16-10-9-15(18)17-13-3-4-13/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyFDHDEJMDDNOSLD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.95
Rot. Bonds8

About N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide

N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide (PubChem CID 79378081) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-propylsulfonylanilino)propanamide
PubChem CID79378081
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-3-(4-propylsulfonylanilino)propanamide
SMILESCCCS(=O)(=O)c1ccc(NCCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-11-21(19,20)14-7-5-12(6-8-14)16-10-9-15(18)17-13-3-4-13/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyFDHDEJMDDNOSLD-UHFFFAOYSA-N
XLogP1.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
N-butyl-4-propylsulfonylaniline
CID 43453437
N-(2-chloroethyl)-4-propylsulfonylaniline
CID 65030404
4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
N-tert-butyl-2-(4-propylsulfonylanilino)acetamide
CID 115356865
4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973347
N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
CID 43429869
N-cyclopropyl-2-[4-(methylsulfamoyl)anilino]acetamide
CID 43568438
methyl 4-[[3-(cycloheptylamino)-3-oxopropyl]amino]benzoate
CID 109031506
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide?
The IUPAC name of N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide (CID 79378081) is N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide is CCCS(=O)(=O)c1ccc(NCCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide?
The InChIKey is FDHDEJMDDNOSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-11-21(19,20)14-7-5-12(6-8-14)16-10-9-15(18)17-13-3-4-13/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide?
N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide has a molecular weight of 310.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide is sourced from PubChem (CID 79378081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).