3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

C21H21N3O3S — CID 139369429

IUPAC3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-5-7-20(8-6-15)28(26,27)24-19-11-16(2)10-18(12-19)21(25)23-14-17-4-3-9-22-13-17/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyOYBDJBWUQOWRQH-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds6

About 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139369429) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139369429
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-5-7-20(8-6-15)28(26,27)24-19-11-16(2)10-18(12-19)21(25)23-14-17-4-3-9-22-13-17/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyOYBDJBWUQOWRQH-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 139369429) is 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C)cc(C(=O)NCc3cccnc3)c2)cc1.
What is the InChIKey of 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OYBDJBWUQOWRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-5-7-20(8-6-15)28(26,27)24-19-11-16(2)10-18(12-19)21(25)23-14-17-4-3-9-22-13-17/h3-13,24H,14H2,1-2H3,(H,23,25).
What are the key properties of 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139369429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).