4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C22H23N3O3S — CID 139369407

IUPAC4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(C)nc3)ccc2C)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-4-10-20(11-5-15)29(27,28)25-21-12-19(9-6-16(21)2)22(26)24-14-18-8-7-17(3)23-13-18/h4-13,25H,14H2,1-3H3,(H,24,26)
InChIKeyZKRBQBKMMRYJKN-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.74
Rot. Bonds6

About 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide

4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 139369407) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID139369407
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(C)nc3)ccc2C)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-4-10-20(11-5-15)29(27,28)25-21-12-19(9-6-16(21)2)22(26)24-14-18-8-7-17(3)23-13-18/h4-13,25H,14H2,1-3H3,(H,24,26)
InChIKeyZKRBQBKMMRYJKN-UHFFFAOYSA-N
XLogP3.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 139369407) is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(C)nc3)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is ZKRBQBKMMRYJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-4-10-20(11-5-15)29(27,28)25-21-12-19(9-6-16(21)2)22(26)24-14-18-8-7-17(3)23-13-18/h4-13,25H,14H2,1-3H3,(H,24,26).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 139369407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).