3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride

C18H30ClN3O3S — CID 119692536

IUPAC3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-5-21(6-2)25(23,24)16-9-12(3)13(4)17(11-16)20-18(22)14-7-8-15(19)10-14;/h9,11,14-15H,5-8,10,19H2,1-4H3,(H,20,22);1H
InChIKeyVGOAOIUHVXZNDL-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.82
Rot. Bonds6

About 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119692536) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119692536
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC Name3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-5-21(6-2)25(23,24)16-9-12(3)13(4)17(11-16)20-18(22)14-7-8-15(19)10-14;/h9,11,14-15H,5-8,10,19H2,1-4H3,(H,20,22);1H
InChIKeyVGOAOIUHVXZNDL-UHFFFAOYSA-N
XLogP2.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119692566
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]piperidine-4-carboxamide
CID 119272853
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]pyrrolidine-3-carboxamide
CID 119692557
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 43049414
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119686806
3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 66008738
2,2,2-trifluoroethyl 4-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]carbamoyl]piperidine-1-carboxylate
CID 24586987
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082
3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 66008930
(2S,4S)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631843
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119692536) is 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C2CCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is VGOAOIUHVXZNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-5-21(6-2)25(23,24)16-9-12(3)13(4)17(11-16)20-18(22)14-7-8-15(19)10-14;/h9,11,14-15H,5-8,10,19H2,1-4H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119692536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).