2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide

C16H17N3O4S — CID 50959464

IUPAC2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCS(=O)(=O)CC(=O)Nc1ccccc1C(=O)NCc1ccccn1
InChIInChI=1S/C16H17N3O4S/c1-24(22,23)11-15(20)19-14-8-3-2-7-13(14)16(21)18-10-12-6-4-5-9-17-12/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyKXQPRPNWVLTKET-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.99
Rot. Bonds6

About 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide

2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 50959464) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID50959464
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCS(=O)(=O)CC(=O)Nc1ccccc1C(=O)NCc1ccccn1
InChIInChI=1S/C16H17N3O4S/c1-24(22,23)11-15(20)19-14-8-3-2-7-13(14)16(21)18-10-12-6-4-5-9-17-12/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyKXQPRPNWVLTKET-UHFFFAOYSA-N
XLogP0.99
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide (CID 50959464) is 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide is CS(=O)(=O)CC(=O)Nc1ccccc1C(=O)NCc1ccccn1.
What is the InChIKey of 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is KXQPRPNWVLTKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-24(22,23)11-15(20)19-14-8-3-2-7-13(14)16(21)18-10-12-6-4-5-9-17-12/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 347.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfonylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 50959464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).