2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide

C19H15F2NO2S — CID 55445056

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide
SMILESO=C(CSc1ccc(F)c(F)c1)N(Cc1ccco1)c1ccccc1
InChIInChI=1S/C19H15F2NO2S/c20-17-9-8-16(11-18(17)21)25-13-19(23)22(12-15-7-4-10-24-15)14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyDLPQPXIDWVZWTA-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.88
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide

2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide (PubChem CID 55445056) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide
PubChem CID55445056
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide
SMILESO=C(CSc1ccc(F)c(F)c1)N(Cc1ccco1)c1ccccc1
InChIInChI=1S/C19H15F2NO2S/c20-17-9-8-16(11-18(17)21)25-13-19(23)22(12-15-7-4-10-24-15)14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyDLPQPXIDWVZWTA-UHFFFAOYSA-N
XLogP4.88
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78826719
2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767047
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 86922308
ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 78889031
2-amino-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39364356
2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39384213
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7737236
N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide
CID 39075033
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
CID 55889992
N-(4-chlorophenyl)-2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 35182106
N-(furan-2-ylmethyl)-2-(2-methoxyphenoxy)-N-phenylacetamide
CID 18100575
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide (CID 55445056) is 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide is O=C(CSc1ccc(F)c(F)c1)N(Cc1ccco1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide?
The InChIKey is DLPQPXIDWVZWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-17-9-8-16(11-18(17)21)25-13-19(23)22(12-15-7-4-10-24-15)14-5-2-1-3-6-14/h1-11H,12-13H2.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide has a molecular weight of 359.40 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide is sourced from PubChem (CID 55445056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).