2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide

C16H15FN2O2S — CID 1121570

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)Nc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C16H15FN2O2S/c17-12-6-8-14(9-7-12)19-16(21)11-22-10-15(20)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyQYWDAPUWJZJUFV-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.14
Rot. Bonds6

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 1121570) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID1121570
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)Nc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C16H15FN2O2S/c17-12-6-8-14(9-7-12)19-16(21)11-22-10-15(20)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyQYWDAPUWJZJUFV-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 1121570) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide is O=C(CSCC(=O)Nc1ccc(F)cc1)Nc1ccccc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is QYWDAPUWJZJUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-12-6-8-14(9-7-12)19-16(21)11-22-10-15(20)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 318.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 1121570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).