5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one

C19H24N2O4S — CID 53170579

IUPAC5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1cccc(Cn2cc(S(=O)(=O)N3CCCCCC3)ccc2=O)c1
InChIInChI=1S/C19H24N2O4S/c1-25-17-8-6-7-16(13-17)14-20-15-18(9-10-19(20)22)26(23,24)21-11-4-2-3-5-12-21/h6-10,13,15H,2-5,11-12,14H2,1H3
InChIKeyNNCPWJKBMBFPGY-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.47
Rot. Bonds5

About 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one

5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one (PubChem CID 53170579) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one
PubChem CID53170579
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1cccc(Cn2cc(S(=O)(=O)N3CCCCCC3)ccc2=O)c1
InChIInChI=1S/C19H24N2O4S/c1-25-17-8-6-7-16(13-17)14-20-15-18(9-10-19(20)22)26(23,24)21-11-4-2-3-5-12-21/h6-10,13,15H,2-5,11-12,14H2,1H3
InChIKeyNNCPWJKBMBFPGY-UHFFFAOYSA-N
XLogP2.47
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-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

5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 53170636
1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170598
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 33339009
2-chloro-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55945452
4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 9111209
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
CID 97482730
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 17378962
4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one
CID 20964947
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 111250397

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one (CID 53170579) is 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one is COc1cccc(Cn2cc(S(=O)(=O)N3CCCCCC3)ccc2=O)c1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one?
The InChIKey is NNCPWJKBMBFPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-25-17-8-6-7-16(13-17)14-20-15-18(9-10-19(20)22)26(23,24)21-11-4-2-3-5-12-21/h6-10,13,15H,2-5,11-12,14H2,1H3.
What are the key properties of 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one?
5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one has a molecular weight of 376.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 53170579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).