N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide

C18H29N3O3S — CID 119589172

IUPACN-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C18H29N3O3S/c1-2-12-25(23,24)21-16-11-7-6-10-15(16)18(22)20-17(13-19)14-8-4-3-5-9-14/h6-7,10-11,14,17,21H,2-5,8-9,12-13,19H2,1H3,(H,20,22)
InChIKeyHSBRWPVMSCKDPM-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.48
Rot. Bonds8

About N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide

N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide (PubChem CID 119589172) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
PubChem CID119589172
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C18H29N3O3S/c1-2-12-25(23,24)21-16-11-7-6-10-15(16)18(22)20-17(13-19)14-8-4-3-5-9-14/h6-7,10-11,14,17,21H,2-5,8-9,12-13,19H2,1H3,(H,20,22)
InChIKeyHSBRWPVMSCKDPM-UHFFFAOYSA-N
XLogP2.48
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
CID 119591550
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide
CID 119614470
(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
CID 120505355
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
CID 106738112
N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride
CID 119589063

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide (CID 119589172) is N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccccc1C(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide?
The InChIKey is HSBRWPVMSCKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-2-12-25(23,24)21-16-11-7-6-10-15(16)18(22)20-17(13-19)14-8-4-3-5-9-14/h6-7,10-11,14,17,21H,2-5,8-9,12-13,19H2,1H3,(H,20,22).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide?
N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide has a molecular weight of 367.52 g/mol, XLogP of 2.48, 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-cyclohexylethyl)-2-(propylsulfonylamino)benzamide is sourced from PubChem (CID 119589172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).