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

C18H17FN2O2S — CID 155551646

IUPAC(2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
SMILESC[C@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H17FN2O2S/c1-12(13-5-3-2-4-6-13)20-18(23)21-16(22)11-17(21)24-15-9-7-14(19)8-10-15/h2-10,12,17H,11H2,1H3,(H,20,23)/t12-,17-/m0/s1
InChIKeyNSIPFBFYAKEYEQ-SJCJKPOMSA-N
MW344.41 g/mol
LogP3.95
Rot. Bonds4

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

(2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide (PubChem CID 155551646) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
PubChem CID155551646
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name(2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
SMILESC[C@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H17FN2O2S/c1-12(13-5-3-2-4-6-13)20-18(23)21-16(22)11-17(21)24-15-9-7-14(19)8-10-15/h2-10,12,17H,11H2,1H3,(H,20,23)/t12-,17-/m0/s1
InChIKeyNSIPFBFYAKEYEQ-SJCJKPOMSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(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
(2R)-2-(4-methoxyphenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide
CID 53363760
2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid
CID 67816069
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
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
(5S)-2-oxo-5-phenyl-N-[(1S)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 13293397
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
methyl (2S,3S)-3-methyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 70323121
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide (CID 155551646) is (2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide is C[C@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide?
The InChIKey is NSIPFBFYAKEYEQ-SJCJKPOMSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-12(13-5-3-2-4-6-13)20-18(23)21-16(22)11-17(21)24-15-9-7-14(19)8-10-15/h2-10,12,17H,11H2,1H3,(H,20,23)/t12-,17-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide?
(2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)sulfanyl-4-oxo-N-[(1S)-1-phenylethyl]azetidine-1-carboxamide is sourced from PubChem (CID 155551646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).