2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide

C23H21FN2O2S — CID 8886336

IUPAC2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H21FN2O2S/c24-18-10-12-19(13-11-18)29-16-22(27)26-21-9-5-4-8-20(21)23(28)25-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,26,27)
InChIKeyRAWTVZXEERFRHS-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.53
Rot. Bonds8

About 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 8886336) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID8886336
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C23H21FN2O2S/c24-18-10-12-19(13-11-18)29-16-22(27)26-21-9-5-4-8-20(21)23(28)25-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,26,27)
InChIKeyRAWTVZXEERFRHS-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
ethyl 2-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]sulfanylacetate
CID 8594862
2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 38112777
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123123
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 42000152
N-(2-aminoethyl)-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]benzamide;hydrochloride
CID 120603877
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 16547944
2-[[2-(2-chlorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29456122
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119676959
N-butyl-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzamide
CID 28578361

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide (CID 8886336) is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide is O=C(CSc1ccc(F)cc1)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is RAWTVZXEERFRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c24-18-10-12-19(13-11-18)29-16-22(27)26-21-9-5-4-8-20(21)23(28)25-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 408.50 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 8886336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).