N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide

C23H28N2O3S — CID 71809356

IUPACN-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C23H28N2O3S/c26-23(25-16-21(17-25)29(27,28)20-14-8-3-9-15-20)24-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-22H,3,8-9,14-17H2,(H,24,26)
InChIKeyWBKGNLVURRCNDE-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.92
Rot. Bonds5

About N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide

N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide (PubChem CID 71809356) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide
PubChem CID71809356
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C23H28N2O3S/c26-23(25-16-21(17-25)29(27,28)20-14-8-3-9-15-20)24-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-22H,3,8-9,14-17H2,(H,24,26)
InChIKeyWBKGNLVURRCNDE-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide?
The IUPAC name of N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide (CID 71809356) is N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide?
The InChIKey is WBKGNLVURRCNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c26-23(25-16-21(17-25)29(27,28)20-14-8-3-9-15-20)24-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-22H,3,8-9,14-17H2,(H,24,26).
What are the key properties of N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide?
N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-cyclohexylsulfonylazetidine-1-carboxamide is sourced from PubChem (CID 71809356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).