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

C20H22N2O3S — CID 4232719

IUPACN-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-16-7-9-19(10-8-16)26(24,25)22-13-11-18(12-14-22)20(23)21-15-17-5-3-2-4-6-17/h2-11H,12-15H2,1H3,(H,21,23)
InChIKeyIFGIANXIVWJKCH-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.63
Rot. Bonds5

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

N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 4232719) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID4232719
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-16-7-9-19(10-8-16)26(24,25)22-13-11-18(12-14-22)20(23)21-15-17-5-3-2-4-6-17/h2-11H,12-15H2,1H3,(H,21,23)
InChIKeyIFGIANXIVWJKCH-UHFFFAOYSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
N-benzyl-4-sulfamoylbenzamide
CID 4347
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 4232719) is N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CC=C(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is IFGIANXIVWJKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-16-7-9-19(10-8-16)26(24,25)22-13-11-18(12-14-22)20(23)21-15-17-5-3-2-4-6-17/h2-11H,12-15H2,1H3,(H,21,23).
What are the key properties of N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 4232719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).