4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

C14H20N2O4S — CID 110748344

IUPAC4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-11-3-5-13(6-4-11)21(18,19)15-14(17)16-9-7-12(20-2)8-10-16/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyQABTZWASIBLHAH-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.50
Rot. Bonds3

About 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 110748344) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
PubChem CID110748344
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-11-3-5-13(6-4-11)21(18,19)15-14(17)16-9-7-12(20-2)8-10-16/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyQABTZWASIBLHAH-UHFFFAOYSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
CID 175378510
4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 25047509
N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110396656
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525
(4aS,8aR)-N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 27055457
3-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 110423947

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (CID 110748344) is 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is COC1CCN(C(=O)NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is QABTZWASIBLHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-3-5-13(6-4-11)21(18,19)15-14(17)16-9-7-12(20-2)8-10-16/h3-6,12H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 110748344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).