2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide

C17H21N3O4S — CID 53161411

IUPAC2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cn2c(C)ccc(NS(C)(=O)=O)c2=O)c1
InChIInChI=1S/C17H21N3O4S/c1-12-5-4-6-14(9-12)10-18-16(21)11-20-13(2)7-8-15(17(20)22)19-25(3,23)24/h4-9,19H,10-11H2,1-3H3,(H,18,21)
InChIKeyZWSVWNOQQKNGRN-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.15
Rot. Bonds6

About 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide

2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 53161411) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID53161411
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cn2c(C)ccc(NS(C)(=O)=O)c2=O)c1
InChIInChI=1S/C17H21N3O4S/c1-12-5-4-6-14(9-12)10-18-16(21)11-20-13(2)7-8-15(17(20)22)19-25(3,23)24/h4-9,19H,10-11H2,1-3H3,(H,18,21)
InChIKeyZWSVWNOQQKNGRN-UHFFFAOYSA-N
XLogP1.15
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (CID 53161411) is 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cn2c(C)ccc(NS(C)(=O)=O)c2=O)c1.
What is the InChIKey of 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is ZWSVWNOQQKNGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-5-4-6-14(9-12)10-18-16(21)11-20-13(2)7-8-15(17(20)22)19-25(3,23)24/h4-9,19H,10-11H2,1-3H3,(H,18,21).
What are the key properties of 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide?
2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53161411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).