N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide

C17H15ClN2O2S — CID 54466914

IUPACN-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide
SMILESO=C1CC(Sc2cccc(Cl)c2)N1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15ClN2O2S/c18-13-7-4-8-14(9-13)23-16-10-15(21)20(16)17(22)19-11-12-5-2-1-3-6-12/h1-9,16H,10-11H2,(H,19,22)
InChIKeyXFNLQONKLZHLTB-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.90
Rot. Bonds4

About N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide

N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide (PubChem CID 54466914) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide
PubChem CID54466914
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide
SMILESO=C1CC(Sc2cccc(Cl)c2)N1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15ClN2O2S/c18-13-7-4-8-14(9-13)23-16-10-15(21)20(16)17(22)19-11-12-5-2-1-3-6-12/h1-9,16H,10-11H2,(H,19,22)
InChIKeyXFNLQONKLZHLTB-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
CID 118526721
(2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide
CID 15523795
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62533279
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
CID 42462168
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759
(6S,9aS)-N-benzyl-8-[(3-chlorophenyl)methyl]-2-methyl-4,7-dioxo-6-phenyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58888739
N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108898698
2-[1-[(4-aminophenyl)methylcarbamoyl]-4-oxoazetidin-2-yl]acetic acid
CID 162673162

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide?
The IUPAC name of N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide (CID 54466914) is N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide is O=C1CC(Sc2cccc(Cl)c2)N1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide?
The InChIKey is XFNLQONKLZHLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c18-13-7-4-8-14(9-13)23-16-10-15(21)20(16)17(22)19-11-12-5-2-1-3-6-12/h1-9,16H,10-11H2,(H,19,22).
What are the key properties of N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide?
N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide is sourced from PubChem (CID 54466914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).