N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide

C21H20N2O3S — CID 52905714

IUPACN-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-3-7-17(8-4-15)13-23-21(24)18-9-12-20(22-14-18)27(25,26)19-10-5-16(2)6-11-19/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyMPBBTRFIWGHJCF-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.46
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide

N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide (PubChem CID 52905714) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide
PubChem CID52905714
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-3-7-17(8-4-15)13-23-21(24)18-9-12-20(22-14-18)27(25,26)19-10-5-16(2)6-11-19/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyMPBBTRFIWGHJCF-UHFFFAOYSA-N
XLogP3.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 52905736
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
6-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 53002958
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide (CID 52905714) is N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)nc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide?
The InChIKey is MPBBTRFIWGHJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15-3-7-17(8-4-15)13-23-21(24)18-9-12-20(22-14-18)27(25,26)19-10-5-16(2)6-11-19/h3-12,14H,13H2,1-2H3,(H,23,24).
What are the key properties of N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide?
N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 52905714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).