2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide

C14H18N2O3S — CID 535662

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C14H18N2O3S/c17-13(15-12-4-2-1-3-5-12)10-20-11-14(18)16-6-8-19-9-7-16/h1-5H,6-11H2,(H,15,17)
InChIKeyWJMMLXIEVHCCGV-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.22
Rot. Bonds5

About 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide (PubChem CID 535662) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide
PubChem CID535662
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C14H18N2O3S/c17-13(15-12-4-2-1-3-5-12)10-20-11-14(18)16-6-8-19-9-7-16/h1-5H,6-11H2,(H,15,17)
InChIKeyWJMMLXIEVHCCGV-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide (CID 535662) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide is O=C(CSCC(=O)N1CCOCC1)Nc1ccccc1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide?
The InChIKey is WJMMLXIEVHCCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-13(15-12-4-2-1-3-5-12)10-20-11-14(18)16-6-8-19-9-7-16/h1-5H,6-11H2,(H,15,17).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide?
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide has a molecular weight of 294.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 535662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).