3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide

C22H18F2N2O2S — CID 5143379

IUPAC3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C22H18F2N2O2S/c1-14(27)26-20-12-16(22(28)25-13-15-2-5-17(23)6-3-15)4-11-21(20)29-19-9-7-18(24)8-10-19/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyLIIPLHWUBHNFFX-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.00
Rot. Bonds6

About 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide

3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide (PubChem CID 5143379) has the molecular formula C22H18F2N2O2S and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
PubChem CID5143379
Molecular FormulaC22H18F2N2O2S
Molecular Weight412.46 g/mol
Exact Mass412.11
IUPAC Name3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C22H18F2N2O2S/c1-14(27)26-20-12-16(22(28)25-13-15-2-5-17(23)6-3-15)4-11-21(20)29-19-9-7-18(24)8-10-19/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyLIIPLHWUBHNFFX-UHFFFAOYSA-N
XLogP5.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 5143383
3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 4291445
3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfanylbenzamide
CID 4304352
N-[2-(4-fluorophenyl)sulfanylphenyl]acetamide
CID 58015270
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
CID 171538005
3-acetamido-N-[2-[bis(2-methylpropyl)amino]ethyl]-4-(4-chlorophenyl)sulfanylbenzamide
CID 20967933
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
CID 17432923

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The IUPAC name of 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide (CID 5143379) is 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The canonical SMILES for 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide is CC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2)ccc1Sc1ccc(F)cc1.
What is the InChIKey of 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The InChIKey is LIIPLHWUBHNFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2S/c1-14(27)26-20-12-16(22(28)25-13-15-2-5-17(23)6-3-15)4-11-21(20)29-19-9-7-18(24)8-10-19/h2-12H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide has a molecular weight of 412.46 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide is sourced from PubChem (CID 5143379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).