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

C21H21N3O3S — CID 1289912

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-5-11-20(12-6-16)28(26,27)24(2)19-9-7-18(8-10-19)21(25)23-15-17-4-3-13-22-14-17/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyAMTULNFDXXNTMV-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.15
Rot. Bonds6

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

4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1289912) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1289912
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-5-11-20(12-6-16)28(26,27)24(2)19-9-7-18(8-10-19)21(25)23-15-17-4-3-13-22-14-17/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyAMTULNFDXXNTMV-UHFFFAOYSA-N
XLogP3.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 1289912) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is AMTULNFDXXNTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-5-11-20(12-6-16)28(26,27)24(2)19-9-7-18(8-10-19)21(25)23-15-17-4-3-13-22-14-17/h3-14H,15H2,1-2H3,(H,23,25).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1289912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).