N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide

C23H20N2O2S — CID 118726244

IUPACN-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide
SMILESO=C1CC(Sc2ccccc2)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O2S/c26-20-16-21(28-19-14-8-3-9-15-19)25(20)23(27)24-22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22H,16H2,(H,24,27)
InChIKeyBGEDTEGZRHBCPE-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.84
Rot. Bonds5

About N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide

N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide (PubChem CID 118726244) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide
PubChem CID118726244
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide
SMILESO=C1CC(Sc2ccccc2)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O2S/c26-20-16-21(28-19-14-8-3-9-15-19)25(20)23(27)24-22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22H,16H2,(H,24,27)
InChIKeyBGEDTEGZRHBCPE-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide?
The IUPAC name of N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide (CID 118726244) is N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide is O=C1CC(Sc2ccccc2)N1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide?
The InChIKey is BGEDTEGZRHBCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-20-16-21(28-19-14-8-3-9-15-19)25(20)23(27)24-22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21-22H,16H2,(H,24,27).
What are the key properties of N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide?
N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide is sourced from PubChem (CID 118726244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).