N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide

C21H16FNO2S — CID 7489443

IUPACN-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide
SMILESO=C(CSc1ccccc1F)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16FNO2S/c22-18-8-4-5-9-20(18)26-14-19(24)15-10-12-17(13-11-15)23-21(25)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,25)
InChIKeyLVQVMWGTBYYDPF-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.05
Rot. Bonds6

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

N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide (PubChem CID 7489443) has the molecular formula C21H16FNO2S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide
PubChem CID7489443
Molecular FormulaC21H16FNO2S
Molecular Weight365.43 g/mol
Exact Mass365.09
IUPAC NameN-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide
SMILESO=C(CSc1ccccc1F)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16FNO2S/c22-18-8-4-5-9-20(18)26-14-19(24)15-10-12-17(13-11-15)23-21(25)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,25)
InChIKeyLVQVMWGTBYYDPF-UHFFFAOYSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698
N-[4-[2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]benzamide
CID 46818032
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676191
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide
CID 27139618
N-[4-[2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]benzamide
CID 112772964
(4-benzamidophenyl) 2-(4-acetyl-2-fluorophenyl)sulfanylacetate
CID 35598335
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 4793619
N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
CID 40511037

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide (CID 7489443) is N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide is O=C(CSc1ccccc1F)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide?
The InChIKey is LVQVMWGTBYYDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2S/c22-18-8-4-5-9-20(18)26-14-19(24)15-10-12-17(13-11-15)23-21(25)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,25).
What are the key properties of N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide?
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide is sourced from PubChem (CID 7489443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).