N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide

C13H19NO3S — CID 33312505

IUPACN-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSC)c1
InChIInChI=1S/C13H19NO3S/c1-4-16-10-6-7-12(17-5-2)11(8-10)14-13(15)9-18-3/h6-8H,4-5,9H2,1-3H3,(H,14,15)
InChIKeyLULLIZOBCVPMJU-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.79
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide

N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide (PubChem CID 33312505) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
PubChem CID33312505
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSC)c1
InChIInChI=1S/C13H19NO3S/c1-4-16-10-6-7-12(17-5-2)11(8-10)14-13(15)9-18-3/h6-8H,4-5,9H2,1-3H3,(H,14,15)
InChIKeyLULLIZOBCVPMJU-UHFFFAOYSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 863167
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
CID 115581858
2-(2-chlorophenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 26179955
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572
N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 36528919

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide (CID 33312505) is N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide is CCOc1ccc(OCC)c(NC(=O)CSC)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide?
The InChIKey is LULLIZOBCVPMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-16-10-6-7-12(17-5-2)11(8-10)14-13(15)9-18-3/h6-8H,4-5,9H2,1-3H3,(H,14,15).
What are the key properties of N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide?
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide has a molecular weight of 269.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 33312505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).