1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide

C14H20N2O4S — CID 39730617

IUPAC1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H20N2O4S/c1-10-3-4-13(12(9-10)20-2)21(18,19)16-7-5-11(6-8-16)14(15)17/h3-4,9,11H,5-8H2,1-2H3,(H2,15,17)
InChIKeyTVAXRTKGQLEYJV-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.89
Rot. Bonds4

About 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide

1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 39730617) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID39730617
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H20N2O4S/c1-10-3-4-13(12(9-10)20-2)21(18,19)16-7-5-11(6-8-16)14(15)17/h3-4,9,11H,5-8H2,1-2H3,(H2,15,17)
InChIKeyTVAXRTKGQLEYJV-UHFFFAOYSA-N
XLogP0.89
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126382202
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8799587
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 1093373

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 39730617) is 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide is COc1cc(C)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is TVAXRTKGQLEYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-3-4-13(12(9-10)20-2)21(18,19)16-7-5-11(6-8-16)14(15)17/h3-4,9,11H,5-8H2,1-2H3,(H2,15,17).
What are the key properties of 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide?
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 39730617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).