2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide

C22H24N4O4S — CID 87050648

IUPAC2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC(C)c3ccccn3)c2=O)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-7-10-18(11-8-15)31(29,30)25-20-12-9-16(2)26(22(20)28)14-21(27)24-17(3)19-6-4-5-13-23-19/h4-13,17,25H,14H2,1-3H3,(H,24,27)
InChIKeyUENWBCBTPVEDEX-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.54
Rot. Bonds7

About 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide

2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 87050648) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID87050648
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC(C)c3ccccn3)c2=O)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-7-10-18(11-8-15)31(29,30)25-20-12-9-16(2)26(22(20)28)14-21(27)24-17(3)19-6-4-5-13-23-19/h4-13,17,25H,14H2,1-3H3,(H,24,27)
InChIKeyUENWBCBTPVEDEX-UHFFFAOYSA-N
XLogP2.54
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide
CID 87050645
N-(2-methoxyphenyl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 53161468
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648188
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51648189
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 53161461
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 22178641
4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide
CID 87050646
4-methyl-N-[6-methyl-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
CID 95100121
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-benzyl-2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 53161501

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide (CID 87050648) is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC(C)c3ccccn3)c2=O)cc1.
What is the InChIKey of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is UENWBCBTPVEDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-7-10-18(11-8-15)31(29,30)25-20-12-9-16(2)26(22(20)28)14-21(27)24-17(3)19-6-4-5-13-23-19/h4-13,17,25H,14H2,1-3H3,(H,24,27).
What are the key properties of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide?
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 440.53 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 87050648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).