2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide

C18H22N2O3S — CID 86855573

IUPAC2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide
SMILESCOc1cccc(SCC(=O)NCCCCn2ccccc2=O)c1
InChIInChI=1S/C18H22N2O3S/c1-23-15-7-6-8-16(13-15)24-14-17(21)19-10-3-5-12-20-11-4-2-9-18(20)22/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,19,21)
InChIKeyAPUYERAQATXQRP-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.55
Rot. Bonds9

About 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide

2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide (PubChem CID 86855573) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide
PubChem CID86855573
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide
SMILESCOc1cccc(SCC(=O)NCCCCn2ccccc2=O)c1
InChIInChI=1S/C18H22N2O3S/c1-23-15-7-6-8-16(13-15)24-14-17(21)19-10-3-5-12-20-11-4-2-9-18(20)22/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,19,21)
InChIKeyAPUYERAQATXQRP-UHFFFAOYSA-N
XLogP2.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
N-[2-(3-methoxyphenyl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78879278
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 131906933
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 46769228
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide
CID 86855668
2-(3-methoxyphenyl)sulfanyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide
CID 136662204
2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 35040882
(2R)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 92924453
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide (CID 86855573) is 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide is COc1cccc(SCC(=O)NCCCCn2ccccc2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide?
The InChIKey is APUYERAQATXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-15-7-6-8-16(13-15)24-14-17(21)19-10-3-5-12-20-11-4-2-9-18(20)22/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,19,21).
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide?
2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]acetamide is sourced from PubChem (CID 86855573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).