1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one

C17H20N2O4S — CID 53170592

IUPAC1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
SMILESCc1ccc(Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-14-2-4-15(5-3-14)12-18-13-16(6-7-17(18)20)24(21,22)19-8-10-23-11-9-19/h2-7,13H,8-12H2,1H3
InChIKeyKIPXCDRFPQMPDB-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.23
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one

1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one (PubChem CID 53170592) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
PubChem CID53170592
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
SMILESCc1ccc(Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-14-2-4-15(5-3-14)12-18-13-16(6-7-17(18)20)24(21,22)19-8-10-23-11-9-19/h2-7,13H,8-12H2,1H3
InChIKeyKIPXCDRFPQMPDB-UHFFFAOYSA-N
XLogP1.23
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170598
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
CID 53170666
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 33339009
(3aR)-5-[(4-methylphenyl)methyl]-7-morpholin-4-ylsulfonyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
CID 40783232
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404
4-(4-methylphenyl)sulfonyl-1,4,7-oxadiazonane
CID 11098087
4,7,10,19-tetrakis-(4-methylphenyl)sulfonyl-1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
CID 15094039

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one (CID 53170592) is 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one is Cc1ccc(Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one?
The InChIKey is KIPXCDRFPQMPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-14-2-4-15(5-3-14)12-18-13-16(6-7-17(18)20)24(21,22)19-8-10-23-11-9-19/h2-7,13H,8-12H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one?
1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one has a molecular weight of 348.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one is sourced from PubChem (CID 53170592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).