2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide

C18H20N2O3S — CID 734344

IUPAC2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCCOc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-2-23-16-11-7-6-10-15(16)20-18(22)13-24-12-17(21)19-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyZHBASDZLFRAPJO-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.40
Rot. Bonds8

About 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 734344) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID734344
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCCOc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-2-23-16-11-7-6-10-15(16)20-18(22)13-24-12-17(21)19-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyZHBASDZLFRAPJO-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 734344) is 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide is CCOc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is ZHBASDZLFRAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-23-16-11-7-6-10-15(16)20-18(22)13-24-12-17(21)19-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 344.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 734344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).