2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

C14H12F2N2O3S — CID 9046359

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1ccc(F)cc1F)NC(=O)NCc1ccco1
InChIInChI=1S/C14H12F2N2O3S/c15-9-3-4-12(11(16)6-9)22-8-13(19)18-14(20)17-7-10-2-1-5-21-10/h1-6H,7-8H2,(H2,17,18,19,20)
InChIKeyDLWDEAGZAVVFEE-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.68
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 9046359) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID9046359
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1ccc(F)cc1F)NC(=O)NCc1ccco1
InChIInChI=1S/C14H12F2N2O3S/c15-9-3-4-12(11(16)6-9)22-8-13(19)18-14(20)17-7-10-2-1-5-21-10/h1-6H,7-8H2,(H2,17,18,19,20)
InChIKeyDLWDEAGZAVVFEE-UHFFFAOYSA-N
XLogP2.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27640774
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554865
N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468533
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7562940
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
CID 55092341
1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8786927
2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66229322
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837445
N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
CID 43304156
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 9046359) is 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CSc1ccc(F)cc1F)NC(=O)NCc1ccco1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is DLWDEAGZAVVFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c15-9-3-4-12(11(16)6-9)22-8-13(19)18-14(20)17-7-10-2-1-5-21-10/h1-6H,7-8H2,(H2,17,18,19,20).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 326.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 9046359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).