(2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide

C18H18N2O4S — CID 15523795

IUPAC(2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide
SMILESO=C1C[C@H](CS(=O)(=O)c2ccccc2)N1C(=O)NCc1ccccc1
InChIInChI=1S/C18H18N2O4S/c21-17-11-15(13-25(23,24)16-9-5-2-6-10-16)20(17)18(22)19-12-14-7-3-1-4-8-14/h1-10,15H,11-13H2,(H,19,22)/t15-/m1/s1
InChIKeyZTGYFKJRJUEPCK-OAHLLOKOSA-N
MW358.42 g/mol
LogP1.97
Rot. Bonds5

About (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide

(2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide (PubChem CID 15523795) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide
PubChem CID15523795
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name(2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide
SMILESO=C1C[C@H](CS(=O)(=O)c2ccccc2)N1C(=O)NCc1ccccc1
InChIInChI=1S/C18H18N2O4S/c21-17-11-15(13-25(23,24)16-9-5-2-6-10-16)20(17)18(22)19-12-14-7-3-1-4-8-14/h1-10,15H,11-13H2,(H,19,22)/t15-/m1/s1
InChIKeyZTGYFKJRJUEPCK-OAHLLOKOSA-N
XLogP1.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-aminophenyl)methylcarbamoyl]-4-oxoazetidin-2-yl]acetic acid
CID 162673162
(2R)-2-(benzenesulfonylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 97415022
N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide
CID 54466914
N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
CID 118526721
N-[(4-ethylsulfonylphenyl)methyl]-3,4-diphenylpyrrolidine-1-carboxamide
CID 135136426
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-benzylacetamide
CID 2819433
N-benzyl-2,5-dioxopyrrole-1-carboxamide
CID 13227743
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-2,5-dimethylpiperazine-1-carboxamide
CID 107654149

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide?
The IUPAC name of (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide (CID 15523795) is (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide?
The canonical SMILES for (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide is O=C1C[C@H](CS(=O)(=O)c2ccccc2)N1C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide?
The InChIKey is ZTGYFKJRJUEPCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-17-11-15(13-25(23,24)16-9-5-2-6-10-16)20(17)18(22)19-12-14-7-3-1-4-8-14/h1-10,15H,11-13H2,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide?
(2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide is sourced from PubChem (CID 15523795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).