N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide

C15H23N3O3S — CID 119614470

IUPACN-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-9-22(20,21)18-13-7-5-12(6-8-13)15(19)17-14(10-16)11-3-4-11/h5-8,11,14,18H,2-4,9-10,16H2,1H3,(H,17,19)
InChIKeyRCGHNJIOBJKTCF-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.31
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide

N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide (PubChem CID 119614470) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide
PubChem CID119614470
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-9-22(20,21)18-13-7-5-12(6-8-13)15(19)17-14(10-16)11-3-4-11/h5-8,11,14,18H,2-4,9-10,16H2,1H3,(H,17,19)
InChIKeyRCGHNJIOBJKTCF-UHFFFAOYSA-N
XLogP1.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119617428
N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
CID 119589172
N-(2-amino-1-cyclopropylethyl)-4-[ethyl(propyl)amino]benzamide
CID 119613110
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119591487
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119591804
N-(2-amino-1-cyclohexylethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119591997
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 119612678
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119612677

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide (CID 119614470) is N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(C(=O)NC(CN)C2CC2)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide?
The InChIKey is RCGHNJIOBJKTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-9-22(20,21)18-13-7-5-12(6-8-13)15(19)17-14(10-16)11-3-4-11/h5-8,11,14,18H,2-4,9-10,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide?
N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide has a molecular weight of 325.43 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide is sourced from PubChem (CID 119614470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).