1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H25N3O4S — CID 55913924

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1C
InChIInChI=1S/C20H25N3O4S/c1-14-6-9-21-19(12-14)22-20(24)16-7-10-23(11-8-16)28(25,26)17-4-5-18(27-3)15(2)13-17/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H,21,22,24)
InChIKeyTXPQBFWCMPTXTE-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.75
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55913924) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55913924
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1C
InChIInChI=1S/C20H25N3O4S/c1-14-6-9-21-19(12-14)22-20(24)16-7-10-23(11-8-16)28(25,26)17-4-5-18(27-3)15(2)13-17/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H,21,22,24)
InChIKeyTXPQBFWCMPTXTE-UHFFFAOYSA-N
XLogP2.75
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092
N-(2-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126354038
N-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092875
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
N-(3,4-difluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549818
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1093389
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide
CID 55914305
N-(3-chloro-4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4016678
N-[(2S)-butan-2-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092912
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55913924) is 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is TXPQBFWCMPTXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-6-9-21-19(12-14)22-20(24)16-7-10-23(11-8-16)28(25,26)17-4-5-18(27-3)15(2)13-17/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H,21,22,24).
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55913924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).