2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide

C12H18N2O2S — CID 114231324

IUPAC2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide
SMILESCNC(C)c1c(OC)cccc1SCC(N)=O
InChIInChI=1S/C12H18N2O2S/c1-8(14-2)12-9(16-3)5-4-6-10(12)17-7-11(13)15/h4-6,8,14H,7H2,1-3H3,(H2,13,15)
InChIKeyDMNJCVPQYWMCOA-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.55
Rot. Bonds6

About 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide

2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide (PubChem CID 114231324) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide
PubChem CID114231324
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide
SMILESCNC(C)c1c(OC)cccc1SCC(N)=O
InChIInChI=1S/C12H18N2O2S/c1-8(14-2)12-9(16-3)5-4-6-10(12)17-7-11(13)15/h4-6,8,14H,7H2,1-3H3,(H2,13,15)
InChIKeyDMNJCVPQYWMCOA-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide 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

2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide
CID 114232132
1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine
CID 113389150
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
CID 17449163
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 43231952
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine
CID 113389112
2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27260951
1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 113389088
2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 52772198
2-[[5-[1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43869451
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
CID 117357886
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide?
The IUPAC name of 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide (CID 114231324) is 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide is CNC(C)c1c(OC)cccc1SCC(N)=O.
What is the InChIKey of 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide?
The InChIKey is DMNJCVPQYWMCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(14-2)12-9(16-3)5-4-6-10(12)17-7-11(13)15/h4-6,8,14H,7H2,1-3H3,(H2,13,15).
What are the key properties of 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide?
2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide is sourced from PubChem (CID 114231324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).