N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide

C23H19FN2O2S — CID 118726247

IUPACN-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide
SMILESO=C1CC(Sc2ccc(F)cc2)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19FN2O2S/c24-18-11-13-19(14-12-18)29-21-15-20(27)26(21)23(28)25-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H,15H2,(H,25,28)
InChIKeyOTCVHCLJVNBMGJ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.98
Rot. Bonds5

About N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide

N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide (PubChem CID 118726247) has the molecular formula C23H19FN2O2S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide
PubChem CID118726247
Molecular FormulaC23H19FN2O2S
Molecular Weight406.48 g/mol
Exact Mass406.12
IUPAC NameN-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide
SMILESO=C1CC(Sc2ccc(F)cc2)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19FN2O2S/c24-18-11-13-19(14-12-18)29-21-15-20(27)26(21)23(28)25-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H,15H2,(H,25,28)
InChIKeyOTCVHCLJVNBMGJ-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide?
The IUPAC name of N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide (CID 118726247) is N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide is O=C1CC(Sc2ccc(F)cc2)N1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide?
The InChIKey is OTCVHCLJVNBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2S/c24-18-11-13-19(14-12-18)29-21-15-20(27)26(21)23(28)25-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H,15H2,(H,25,28).
What are the key properties of N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide?
N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide is sourced from PubChem (CID 118726247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).