N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride

C20H27ClN4O5S — CID 171708402

IUPACN-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C20H26N4O5S.ClH/c1-13-10-17(14-6-5-9-21-12-14)29-20(26)18(13)19(25)22-15-7-4-8-16(11-15)23-30(27,28)24(2)3;/h4,7-8,10-11,14,21,23H,5-6,9,12H2,1-3H3,(H,22,25);1H
InChIKeyFKOPJZSOMPVLEI-UHFFFAOYSA-N
MW470.98 g/mol
LogP2.31
Rot. Bonds6

About N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride

N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride (PubChem CID 171708402) has the molecular formula C20H27ClN4O5S and a molecular weight of 470.98 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
PubChem CID171708402
Molecular FormulaC20H27ClN4O5S
Molecular Weight470.98 g/mol
Exact Mass470.14
IUPAC NameN-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C20H26N4O5S.ClH/c1-13-10-17(14-6-5-9-21-12-14)29-20(26)18(13)19(25)22-15-7-4-8-16(11-15)23-30(27,28)24(2)3;/h4,7-8,10-11,14,21,23H,5-6,9,12H2,1-3H3,(H,22,25);1H
InChIKeyFKOPJZSOMPVLEI-UHFFFAOYSA-N
XLogP2.31
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504605
N-(3-cyclopentyloxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710732
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171712491
N-(4-butoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170510382
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
N-(2-fluoro-5-methylphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511577
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507137
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate
CID 170505549
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171713133
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride (CID 171708402) is N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1.Cl.
What is the InChIKey of N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
The InChIKey is FKOPJZSOMPVLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S.ClH/c1-13-10-17(14-6-5-9-21-12-14)29-20(26)18(13)19(25)22-15-7-4-8-16(11-15)23-30(27,28)24(2)3;/h4,7-8,10-11,14,21,23H,5-6,9,12H2,1-3H3,(H,22,25);1H.
What are the key properties of N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride has a molecular weight of 470.98 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171708402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).