2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide

C12H14F2N2O2S — CID 27640774

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2S/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17,18)
InChIKeyJZFRNNPAOXZFCS-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.29
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide

2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide (PubChem CID 27640774) has the molecular formula C12H14F2N2O2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
PubChem CID27640774
Molecular FormulaC12H14F2N2O2S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2S/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17,18)
InChIKeyJZFRNNPAOXZFCS-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
CID 8837223
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9046359
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide
CID 115700812
2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 43305347
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9368960
2-(2,4-difluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724718
2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43238214
3-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid
CID 81065977
N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide
CID 94217661
N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 8787419

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide (CID 27640774) is 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
The InChIKey is JZFRNNPAOXZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2S/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide has a molecular weight of 288.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 27640774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).