3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride

C18H30ClN3O3S — CID 120651468

IUPAC3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-19-14(3)12-20-18(22)15-10-9-13(2)17(11-15)25(23,24)21-16-7-5-6-8-16;/h9-11,14,16,19,21H,4-8,12H2,1-3H3,(H,20,22);1H/t14-;/m1./s1
InChIKeySCIJVTZGFOSTQU-PFEQFJNWSA-N
MW403.98 g/mol
LogP2.37
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride

3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride (PubChem CID 120651468) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
PubChem CID120651468
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC Name3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-19-14(3)12-20-18(22)15-10-9-13(2)17(11-15)25(23,24)21-16-7-5-6-8-16;/h9-11,14,16,19,21H,4-8,12H2,1-3H3,(H,20,22);1H/t14-;/m1./s1
InChIKeySCIJVTZGFOSTQU-PFEQFJNWSA-N
XLogP2.37
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022
2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
CID 119350138
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide
CID 119583234
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide;hydrochloride
CID 119610853
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574596
3-(cyclopentylsulfamoyl)-N,4-dimethyl-N-piperidin-4-ylbenzamide
CID 119442848
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 154840886

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride (CID 120651468) is 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1.Cl.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride?
The InChIKey is SCIJVTZGFOSTQU-PFEQFJNWSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-4-19-14(3)12-20-18(22)15-10-9-13(2)17(11-15)25(23,24)21-16-7-5-6-8-16;/h9-11,14,16,19,21H,4-8,12H2,1-3H3,(H,20,22);1H/t14-;/m1./s1.
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride?
3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 120651468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).