2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide

C12H18N2O2S — CID 119503641

IUPAC2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)CSc1cccc(OC)c1
InChIInChI=1S/C12H18N2O2S/c1-13-6-7-14-12(15)9-17-11-5-3-4-10(8-11)16-2/h3-5,8,13H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyPYAAQNPRERCJMJ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.12
Rot. Bonds7

About 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide

2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide (PubChem CID 119503641) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
PubChem CID119503641
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)CSc1cccc(OC)c1
InChIInChI=1S/C12H18N2O2S/c1-13-6-7-14-12(15)9-17-11-5-3-4-10(8-11)16-2/h3-5,8,13H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyPYAAQNPRERCJMJ-UHFFFAOYSA-N
XLogP1.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(2-oxo-1-pyridinyl)butyl]acetamide
CID 86855573
2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 35040882
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 91790037
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
(2R)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 92924453
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 46769228
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 131906933
3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 47154225

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide (CID 119503641) is 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide is CNCCNC(=O)CSc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is PYAAQNPRERCJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-13-6-7-14-12(15)9-17-11-5-3-4-10(8-11)16-2/h3-5,8,13H,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide?
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 254.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 119503641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).