(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C18H24N4O4S — CID 42109687

IUPAC(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)nn3C)C2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-11-17(21(2)20-13)19-18(23)14-5-4-10-22(12-14)27(24,25)16-8-6-15(26-3)7-9-16/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyXMMFTXKLAIMQJU-AWEZNQCLSA-N
MW392.48 g/mol
LogP1.78
Rot. Bonds5

About (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 42109687) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID42109687
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)nn3C)C2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-11-17(21(2)20-13)19-18(23)14-5-4-10-22(12-14)27(24,25)16-8-6-15(26-3)7-9-16/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyXMMFTXKLAIMQJU-AWEZNQCLSA-N
XLogP1.78
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55796302
1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 18092782
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(3R)-N-(4-bromo-2,6-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100795906
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414147
(3S)-N-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302135
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
N-(3-acetamido-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24673336
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 100800715

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 42109687) is (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)nn3C)C2)cc1.
What is the InChIKey of (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is XMMFTXKLAIMQJU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-13-11-17(21(2)20-13)19-18(23)14-5-4-10-22(12-14)27(24,25)16-8-6-15(26-3)7-9-16/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 42109687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).