(2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide

C19H20N2O3S — CID 53363760

IUPAC(2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
SMILESCOc1ccc(S[C@@H]2CC(=O)N2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-13(14-6-4-3-5-7-14)20-19(23)21-17(22)12-18(21)25-16-10-8-15(24-2)9-11-16/h3-11,13,18H,12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
InChIKeyUFACELIHZSALPQ-SCLBCKFNSA-N
MW356.45 g/mol
LogP3.82
Rot. Bonds5

About (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide

(2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide (PubChem CID 53363760) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
PubChem CID53363760
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name(2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
SMILESCOc1ccc(S[C@@H]2CC(=O)N2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-13(14-6-4-3-5-7-14)20-19(23)21-17(22)12-18(21)25-16-10-8-15(24-2)9-11-16/h3-11,13,18H,12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
InChIKeyUFACELIHZSALPQ-SCLBCKFNSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide with MolForge

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Related Compounds

(2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
CID 155551646
(4S)-2-oxo-N-[(1R)-1-phenylethyl]-4-[4-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
CID 155529221
(2R)-2-(2-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
CID 155560672
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
2-cyano-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 144900037
2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 174176847
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
(5S)-2-oxo-5-phenyl-N-[(1S)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 13293397
methyl (2S,3S)-3-methyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 70323121
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide?
The IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide (CID 53363760) is (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide is COc1ccc(S[C@@H]2CC(=O)N2C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide?
The InChIKey is UFACELIHZSALPQ-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13(14-6-4-3-5-7-14)20-19(23)21-17(22)12-18(21)25-16-10-8-15(24-2)9-11-16/h3-11,13,18H,12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide?
(2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide is sourced from PubChem (CID 53363760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).