1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C20H22N2O4S — CID 20881517

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-15-3-5-17(6-4-15)21-20(23)16-11-13-22(14-12-16)27(24,25)19-9-7-18(26-2)8-10-19/h3-11H,12-14H2,1-2H3,(H,21,23)
InChIKeyUYEVLYXFFTVCTH-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.96
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 20881517) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID20881517
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-15-3-5-17(6-4-15)21-20(23)16-11-13-22(14-12-16)27(24,25)19-9-7-18(26-2)8-10-19/h3-11H,12-14H2,1-2H3,(H,21,23)
InChIKeyUYEVLYXFFTVCTH-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 4232720
N-cyclopentyl-1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881502
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881524
N-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 34684171
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 4232717
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
N-(4-methoxyphenyl)-9-(4-methylphenyl)sulfonyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131648680
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbenzamide
CID 16930540
3-methoxy-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930174
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 130204627

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 20881517) is 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is COc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is UYEVLYXFFTVCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15-3-5-17(6-4-15)21-20(23)16-11-13-22(14-12-16)27(24,25)19-9-7-18(26-2)8-10-19/h3-11H,12-14H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 20881517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).