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

C14H20N2O2S — CID 2302648

IUPAC2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCCN(CC)C(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-3-16(4-2)14(18)11-19-10-13(17)15-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,17)
InChIKeyVSPPPOYVGDDYKT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.23
Rot. Bonds7

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

2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 2302648) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID2302648
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCCN(CC)C(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-3-16(4-2)14(18)11-19-10-13(17)15-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,17)
InChIKeyVSPPPOYVGDDYKT-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 2302648) is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide is CCN(CC)C(=O)CSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is VSPPPOYVGDDYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-16(4-2)14(18)11-19-10-13(17)15-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 280.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 2302648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).