3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide

C24H23FN2O2S — CID 46410167

IUPAC3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H23FN2O2S/c1-17-8-9-19(16-22(17)27-24(29)18-6-3-2-4-7-18)23(28)26-14-5-15-30-21-12-10-20(25)11-13-21/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyVEMJIKALUPLJRH-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.30
Rot. Bonds8

About 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide

3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide (PubChem CID 46410167) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide
PubChem CID46410167
Molecular FormulaC24H23FN2O2S
Molecular Weight422.53 g/mol
Exact Mass422.15
IUPAC Name3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H23FN2O2S/c1-17-8-9-19(16-22(17)27-24(29)18-6-3-2-4-7-18)23(28)26-14-5-15-30-21-12-10-20(25)11-13-21/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyVEMJIKALUPLJRH-UHFFFAOYSA-N
XLogP5.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
methyl 3-[3-(4-fluorophenyl)sulfanylpropylcarbamoylamino]-4-methylbenzoate
CID 52593675
4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863
3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide
CID 27802378
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55821516
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047991
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55757741

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide (CID 46410167) is 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide?
The InChIKey is VEMJIKALUPLJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c1-17-8-9-19(16-22(17)27-24(29)18-6-3-2-4-7-18)23(28)26-14-5-15-30-21-12-10-20(25)11-13-21/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide?
3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide has a molecular weight of 422.53 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide is sourced from PubChem (CID 46410167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).