2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide

C12H12F2N2O2S — CID 118726249

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide
SMILESCCNC(=O)N1C(=O)CC1Sc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O2S/c1-2-15-12(18)16-10(17)6-11(16)19-9-4-3-7(13)5-8(9)14/h3-5,11H,2,6H2,1H3,(H,15,18)
InChIKeyWLLJJZWHKZBJRQ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.34
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide

2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide (PubChem CID 118726249) has the molecular formula C12H12F2N2O2S and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide
PubChem CID118726249
Molecular FormulaC12H12F2N2O2S
Molecular Weight286.30 g/mol
Exact Mass286.06
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide
SMILESCCNC(=O)N1C(=O)CC1Sc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O2S/c1-2-15-12(18)16-10(17)6-11(16)19-9-4-3-7(13)5-8(9)14/h3-5,11H,2,6H2,1H3,(H,15,18)
InChIKeyWLLJJZWHKZBJRQ-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide (CID 118726249) is 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide is CCNC(=O)N1C(=O)CC1Sc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide?
The InChIKey is WLLJJZWHKZBJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S/c1-2-15-12(18)16-10(17)6-11(16)19-9-4-3-7(13)5-8(9)14/h3-5,11H,2,6H2,1H3,(H,15,18).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide?
2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide is sourced from PubChem (CID 118726249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).