(3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one

C20H23NOS — CID 10914354

IUPAC(3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one
SMILESCC[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1CSc1ccccc1
InChIInChI=1S/C20H23NOS/c1-3-18-19(14-23-17-12-8-5-9-13-17)21(20(18)22)15(2)16-10-6-4-7-11-16/h4-13,15,18-19H,3,14H2,1-2H3/t15-,18+,19+/m0/s1
InChIKeyUULTYORTJSJIIK-KFKAGJAMSA-N
MW325.48 g/mol
LogP4.78
Rot. Bonds6

About (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one

(3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one (PubChem CID 10914354) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one
PubChem CID10914354
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name(3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one
SMILESCC[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1CSc1ccccc1
InChIInChI=1S/C20H23NOS/c1-3-18-19(14-23-17-12-8-5-9-13-17)21(20(18)22)15(2)16-10-6-4-7-11-16/h4-13,15,18-19H,3,14H2,1-2H3/t15-,18+,19+/m0/s1
InChIKeyUULTYORTJSJIIK-KFKAGJAMSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one with MolForge

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Related Compounds

methyl N-[2-ethyl-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl]carbamate
CID 6712466
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
5-ethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
CID 150985688
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
(3R,4S)-4-(benzenesulfinyl)-1-benzhydryl-3-ethylazetidin-2-one
CID 139725927
(3S,4R)-3-methyl-1-[(1R)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 162539166
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
[(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate
CID 72713131
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
3-(phenylsulfanylmethyl)cyclobutan-1-one
CID 11148227
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione
CID 11414299

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one (CID 10914354) is (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one is CC[C@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1CSc1ccccc1.
What is the InChIKey of (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one?
The InChIKey is UULTYORTJSJIIK-KFKAGJAMSA-N. The full InChI is InChI=1S/C20H23NOS/c1-3-18-19(14-23-17-12-8-5-9-13-17)21(20(18)22)15(2)16-10-6-4-7-11-16/h4-13,15,18-19H,3,14H2,1-2H3/t15-,18+,19+/m0/s1.
What are the key properties of (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one?
(3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one has a molecular weight of 325.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-1-[(1S)-1-phenylethyl]-4-(phenylsulfanylmethyl)azetidin-2-one is sourced from PubChem (CID 10914354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).