2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide

C14H20N2O2S — CID 119554487

IUPAC2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCOc1ccc(SCC(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-16(11-7-8-15-9-11)14(17)10-19-13-5-3-12(18-2)4-6-13/h3-6,11,15H,7-10H2,1-2H3
InChIKeyBJMBRLISHVGKMR-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.61
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide

2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119554487) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID119554487
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCOc1ccc(SCC(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-16(11-7-8-15-9-11)14(17)10-19-13-5-3-12(18-2)4-6-13/h3-6,11,15H,7-10H2,1-2H3
InChIKeyBJMBRLISHVGKMR-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550046
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
4-(4-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551624
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119554715
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552458
(2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 125146530
(2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 125146529
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide (CID 119554487) is 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide is COc1ccc(SCC(=O)N(C)C2CCNC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is BJMBRLISHVGKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16(11-7-8-15-9-11)14(17)10-19-13-5-3-12(18-2)4-6-13/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide?
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119554487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).