N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride

C15H24ClN3O4S — CID 119298124

IUPACN-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-3-23(20,21)18-13-7-6-12(9-14(13)22-2)17-15(19)11-5-4-8-16-10-11;/h6-7,9,11,16,18H,3-5,8,10H2,1-2H3,(H,17,19);1H
InChIKeyTYFINAZWKQNYLV-UHFFFAOYSA-N
MW377.89 g/mol
LogP1.82
Rot. Bonds6

About N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119298124) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119298124
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-3-23(20,21)18-13-7-6-12(9-14(13)22-2)17-15(19)11-5-4-8-16-10-11;/h6-7,9,11,16,18H,3-5,8,10H2,1-2H3,(H,17,19);1H
InChIKeyTYFINAZWKQNYLV-UHFFFAOYSA-N
XLogP1.82
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-[4-(propylsulfonylamino)phenyl]piperidine-3-carboxamide
CID 119306484
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 119848502
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926431
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride (CID 119298124) is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride is CCS(=O)(=O)Nc1ccc(NC(=O)C2CCCNC2)cc1OC.Cl.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is TYFINAZWKQNYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-3-23(20,21)18-13-7-6-12(9-14(13)22-2)17-15(19)11-5-4-8-16-10-11;/h6-7,9,11,16,18H,3-5,8,10H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride?
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119298124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).