4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide

C20H19N3O3S — CID 53311215

IUPAC4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1
InChIInChI=1S/C20H19N3O3S/c1-22-20(24)15-5-3-14(4-6-15)18-11-16(12-23-19(18)21)13-7-9-17(10-8-13)27(2,25)26/h3-12H,1-2H3,(H2,21,23)(H,22,24)
InChIKeySQICBTMJLWNRFZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.76
Rot. Bonds4

About 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide

4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide (PubChem CID 53311215) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide
PubChem CID53311215
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1
InChIInChI=1S/C20H19N3O3S/c1-22-20(24)15-5-3-14(4-6-15)18-11-16(12-23-19(18)21)13-7-9-17(10-8-13)27(2,25)26/h3-12H,1-2H3,(H2,21,23)(H,22,24)
InChIKeySQICBTMJLWNRFZ-UHFFFAOYSA-N
XLogP2.76
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

n-Isopropyl-1-[3-(4-methylsulfonylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10115569
4-{2-Amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}benzamide
CID 53311138
5-(4-Methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53311566
3,5-Bis(4-methylsulfonylphenyl)pyridin-2-amine
CID 53312146
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 53311650
US10981893, Example 28
CID 124173408
4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide
CID 118046362
N-(4-methyl-2-pyridinyl)-4-(phenylsulfonyl)benzamide
CID 1310235
4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide
CID 1357171
4-[(4-methylphenyl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide
CID 2230025
4-methyl-N-{4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]benzyl}benzenesulfonamide
CID 3243910

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide?
The IUPAC name of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide (CID 53311215) is 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1.
What is the InChIKey of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide?
The InChIKey is SQICBTMJLWNRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-22-20(24)15-5-3-14(4-6-15)18-11-16(12-23-19(18)21)13-7-9-17(10-8-13)27(2,25)26/h3-12H,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide?
4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide has a molecular weight of 381.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 53311215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).