2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide

C11H14N2O3S — CID 1251511

IUPAC2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSCC(N)=O
InChIInChI=1S/C11H14N2O3S/c1-16-9-5-3-2-4-8(9)13-11(15)7-17-6-10(12)14/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyONGQIVIOMTXQSS-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.85
Rot. Bonds6

About 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 1251511) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID1251511
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSCC(N)=O
InChIInChI=1S/C11H14N2O3S/c1-16-9-5-3-2-4-8(9)13-11(15)7-17-6-10(12)14/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyONGQIVIOMTXQSS-UHFFFAOYSA-N
XLogP0.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid
CID 82033021
2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide
CID 4991836
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide
CID 60864309
ethane;(2-methoxyphenyl)urea
CID 143063924
butyl 4-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 40883460
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide (CID 1251511) is 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide is COc1ccccc1NC(=O)CSCC(N)=O.
What is the InChIKey of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is ONGQIVIOMTXQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-9-5-3-2-4-8(9)13-11(15)7-17-6-10(12)14/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 254.31 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 1251511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).