4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

C28H23FN2O2S — CID 18904338

IUPAC4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCc1ccccc1NC(=O)C(Sc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C28H23FN2O2S/c1-19-8-5-6-13-25(19)31-28(33)26(20-9-3-2-4-10-20)34-24-12-7-11-23(18-24)30-27(32)21-14-16-22(29)17-15-21/h2-18,26H,1H3,(H,30,32)(H,31,33)
InChIKeyVDVSIOTVRQLBQX-UHFFFAOYSA-N
MW470.57 g/mol
LogP6.86
Rot. Bonds7

About 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (PubChem CID 18904338) has the molecular formula C28H23FN2O2S and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
PubChem CID18904338
Molecular FormulaC28H23FN2O2S
Molecular Weight470.57 g/mol
Exact Mass470.15
IUPAC Name4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCc1ccccc1NC(=O)C(Sc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C28H23FN2O2S/c1-19-8-5-6-13-25(19)31-28(33)26(20-9-3-2-4-10-20)34-24-12-7-11-23(18-24)30-27(32)21-14-16-22(29)17-15-21/h2-18,26H,1H3,(H,30,32)(H,31,33)
InChIKeyVDVSIOTVRQLBQX-UHFFFAOYSA-N
XLogP6.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18907218
3-[[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]-4-methylbenzoic acid
CID 18904380
4-methoxy-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18903762
4-fluoro-N-[3-[2-(3-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18904339
4-fluoro-N-[3-[2-oxo-1-phenyl-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 18904315
N-[3-[2-(4-acetylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-fluorobenzamide
CID 18904346
N-[3-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906951
4-methyl-N-[3-[2-oxo-1-phenyl-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 18907195
4-fluoro-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18913131
2-chloro-5-[[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18904368
N-[3-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18905511
4-methyl-N-[3-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18907242

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (CID 18904338) is 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is Cc1ccccc1NC(=O)C(Sc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The InChIKey is VDVSIOTVRQLBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O2S/c1-19-8-5-6-13-25(19)31-28(33)26(20-9-3-2-4-10-20)34-24-12-7-11-23(18-24)30-27(32)21-14-16-22(29)17-15-21/h2-18,26H,1H3,(H,30,32)(H,31,33).
What are the key properties of 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 6.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18904338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).