3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide

C16H15FN2O2S — CID 18202310

IUPAC3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C16H15FN2O2S/c1-18-16(21)11-5-4-6-12(9-11)19-15(20)10-22-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyKZTINAMJFDQORS-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.92
Rot. Bonds5

About 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide

3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide (PubChem CID 18202310) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
PubChem CID18202310
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C16H15FN2O2S/c1-18-16(21)11-5-4-6-12(9-11)19-15(20)10-22-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyKZTINAMJFDQORS-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]carbamate
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N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
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3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide
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N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
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N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
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[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide (CID 18202310) is 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CSc2ccccc2F)c1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide?
The InChIKey is KZTINAMJFDQORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-18-16(21)11-5-4-6-12(9-11)19-15(20)10-22-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide?
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide has a molecular weight of 318.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 18202310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).