3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride

C18H30ClN3O3S — CID 119686806

IUPAC3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C2CCC(N)C2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-21(5-2)25(23,24)17-10-7-14(8-11-17)13(3)20-18(22)15-6-9-16(19)12-15;/h7-8,10-11,13,15-16H,4-6,9,12,19H2,1-3H3,(H,20,22);1H
InChIKeyWJHBPUWCVKEATP-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.44
Rot. Bonds7

About 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119686806) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119686806
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC Name3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C2CCC(N)C2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-21(5-2)25(23,24)17-10-7-14(8-11-17)13(3)20-18(22)15-6-9-16(19)12-15;/h7-8,10-11,13,15-16H,4-6,9,12,19H2,1-3H3,(H,20,22);1H
InChIKeyWJHBPUWCVKEATP-UHFFFAOYSA-N
XLogP2.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692536
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966262
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide
CID 17415594
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119688640
(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120919058
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119686806) is 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C2CCC(N)C2)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is WJHBPUWCVKEATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-4-21(5-2)25(23,24)17-10-7-14(8-11-17)13(3)20-18(22)15-6-9-16(19)12-15;/h7-8,10-11,13,15-16H,4-6,9,12,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119686806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).