N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride

C17H28ClN3O3S — CID 119983696

IUPACN-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)NC(CN)C2CCCCC2)ccc1C.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12-8-9-15(10-16(12)19-13(2)21)24(22,23)20-17(11-18)14-6-4-3-5-7-14;/h8-10,14,17,20H,3-7,11,18H2,1-2H3,(H,19,21);1H
InChIKeyLEROVXKLVHFVAB-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.56
Rot. Bonds6

About N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride

N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride (PubChem CID 119983696) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
PubChem CID119983696
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)NC(CN)C2CCCCC2)ccc1C.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-12-8-9-15(10-16(12)19-13(2)21)24(22,23)20-17(11-18)14-6-4-3-5-7-14;/h8-10,14,17,20H,3-7,11,18H2,1-2H3,(H,19,21);1H
InChIKeyLEROVXKLVHFVAB-UHFFFAOYSA-N
XLogP2.56
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 120585325
N-[4-[(2-amino-1-cyclopentylethyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 120585027
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119983821
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
CID 119983507
1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120584869
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120713646
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride?
The IUPAC name of N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride (CID 119983696) is N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride is CC(=O)Nc1cc(S(=O)(=O)NC(CN)C2CCCCC2)ccc1C.Cl.
What is the InChIKey of N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride?
The InChIKey is LEROVXKLVHFVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-12-8-9-15(10-16(12)19-13(2)21)24(22,23)20-17(11-18)14-6-4-3-5-7-14;/h8-10,14,17,20H,3-7,11,18H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride?
N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119983696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).