N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide

C17H17FN2O2S — CID 2540090

IUPACN-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCCNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2S/c1-2-19-17(22)14-5-3-4-6-15(14)23-11-16(21)20-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyUCBYSCILSCDKIM-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide

N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 2540090) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
PubChem CID2540090
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCCNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2S/c1-2-19-17(22)14-5-3-4-6-15(14)23-11-16(21)20-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyUCBYSCILSCDKIM-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide (CID 2540090) is N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide is CCNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is UCBYSCILSCDKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-2-19-17(22)14-5-3-4-6-15(14)23-11-16(21)20-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide?
N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 2540090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).