N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide

C18H24N4O3S — CID 70711144

IUPACN-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCc1cccc(N(CC(=O)N2CCCC(c3ccn[nH]3)C2)S(C)(=O)=O)c1
InChIInChI=1S/C18H24N4O3S/c1-14-5-3-7-16(11-14)22(26(2,24)25)13-18(23)21-10-4-6-15(12-21)17-8-9-19-20-17/h3,5,7-9,11,15H,4,6,10,12-13H2,1-2H3,(H,19,20)
InChIKeyQNPMJMWKDXEWRH-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.89
Rot. Bonds5

About N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide

N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 70711144) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID70711144
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCc1cccc(N(CC(=O)N2CCCC(c3ccn[nH]3)C2)S(C)(=O)=O)c1
InChIInChI=1S/C18H24N4O3S/c1-14-5-3-7-16(11-14)22(26(2,24)25)13-18(23)21-10-4-6-15(12-21)17-8-9-19-20-17/h3,5,7-9,11,15H,4,6,10,12-13H2,1-2H3,(H,19,20)
InChIKeyQNPMJMWKDXEWRH-UHFFFAOYSA-N
XLogP1.89
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141792
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
N-[2-[(3aR,7aS)-5-methyl-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl]-N-(3-methylphenyl)methanesulfonamide
CID 138384588
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124964719
4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one
CID 95188207
N-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 124757176
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 129396875
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
N-[2-(azetidin-1-yl)-2-oxoethyl]-N-[3-(methylamino)phenyl]methanesulfonamide
CID 59534419
[3-(2,2-dimethylpropylamino)-2-methylphenyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126772863

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide (CID 70711144) is N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide is Cc1cccc(N(CC(=O)N2CCCC(c3ccn[nH]3)C2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is QNPMJMWKDXEWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14-5-3-7-16(11-14)22(26(2,24)25)13-18(23)21-10-4-6-15(12-21)17-8-9-19-20-17/h3,5,7-9,11,15H,4,6,10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide?
N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 70711144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).