2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide

C21H19N3O4S — CID 44571870

IUPAC2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H19N3O4S/c1-14-8-9-16(12-19(14)21(26)24-17-6-4-10-22-13-17)23-20(25)15-5-3-7-18(11-15)29(2,27)28/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyCNWHCXBNPHMXFW-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.30
Rot. Bonds5

About 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide

2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 44571870) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID44571870
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H19N3O4S/c1-14-8-9-16(12-19(14)21(26)24-17-6-4-10-22-13-17)23-20(25)15-5-3-7-18(11-15)29(2,27)28/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyCNWHCXBNPHMXFW-UHFFFAOYSA-N
XLogP3.30
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide (CID 44571870) is 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is CNWHCXBNPHMXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-14-8-9-16(12-19(14)21(26)24-17-6-4-10-22-13-17)23-20(25)15-5-3-7-18(11-15)29(2,27)28/h3-13H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide?
2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide has a molecular weight of 409.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylsulfonylbenzoyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44571870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).