2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide

C20H14FNOS2 — CID 30769927

IUPAC2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1F)Nc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C20H14FNOS2/c21-18-8-1-2-9-19(18)25-14-20(23)22-16-6-3-5-15(13-16)10-11-17-7-4-12-24-17/h1-9,12-13H,14H2,(H,22,23)
InChIKeyVJKYEXSOLOQXBR-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.02
Rot. Bonds4

About 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide (PubChem CID 30769927) has the molecular formula C20H14FNOS2 and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide
PubChem CID30769927
Molecular FormulaC20H14FNOS2
Molecular Weight367.47 g/mol
Exact Mass367.05
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1F)Nc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C20H14FNOS2/c21-18-8-1-2-9-19(18)25-14-20(23)22-16-6-3-5-15(13-16)10-11-17-7-4-12-24-17/h1-9,12-13H,14H2,(H,22,23)
InChIKeyVJKYEXSOLOQXBR-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052
N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
CID 35230081
(2S)-2-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 33025180
N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30395696
4-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 35230362
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 18202310
2-bromo-4-fluoro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 22829930
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide
CID 46419795
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18208686
3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30694090
4-acetamido-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 30594161
2-acetamido-3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 46536057

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide (CID 30769927) is 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide is O=C(CSc1ccccc1F)Nc1cccc(C#Cc2cccs2)c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide?
The InChIKey is VJKYEXSOLOQXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNOS2/c21-18-8-1-2-9-19(18)25-14-20(23)22-16-6-3-5-15(13-16)10-11-17-7-4-12-24-17/h1-9,12-13H,14H2,(H,22,23).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide is sourced from PubChem (CID 30769927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).