N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide

C11H15NO3S — CID 115167004

IUPACN-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
SMILESCOc1ccc(OC)c(N(C)C(=O)CS)c1
InChIInChI=1S/C11H15NO3S/c1-12(11(13)7-16)9-6-8(14-2)4-5-10(9)15-3/h4-6,16H,7H2,1-3H3
InChIKeyAWHCSHHFPAZONJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.60
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide

N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide (PubChem CID 115167004) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
PubChem CID115167004
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
SMILESCOc1ccc(OC)c(N(C)C(=O)CS)c1
InChIInChI=1S/C11H15NO3S/c1-12(11(13)7-16)9-6-8(14-2)4-5-10(9)15-3/h4-6,16H,7H2,1-3H3
InChIKeyAWHCSHHFPAZONJ-UHFFFAOYSA-N
XLogP1.60
TPSA38.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206
1-cyano-N-(2,5-dimethoxyphenyl)-N-methylformamide
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methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
(E)-4-(2,5-dimethoxy-N-methylanilino)but-2-enoic acid
CID 115236962
N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167730
2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
CID 115188196
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
1-(2,5-dimethoxyphenyl)-3-sulfanylpropan-2-one
CID 58139295
dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate
CID 21058626
(2R)-2-(2,5-dimethoxy-N-methylanilino)propanoic acid
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2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 117041801

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide (CID 115167004) is N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide is COc1ccc(OC)c(N(C)C(=O)CS)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide?
The InChIKey is AWHCSHHFPAZONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-12(11(13)7-16)9-6-8(14-2)4-5-10(9)15-3/h4-6,16H,7H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide has a molecular weight of 241.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide is sourced from PubChem (CID 115167004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).