(2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide

C15H22N2O2S — CID 126443026

IUPAC(2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCCSCCNC(=O)N1CC[C@H]1c1cccc(OC)c1
InChIInChI=1S/C15H22N2O2S/c1-3-20-10-8-16-15(18)17-9-7-14(17)12-5-4-6-13(11-12)19-2/h4-6,11,14H,3,7-10H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeyNOSYFUZKCIHYCX-AWEZNQCLSA-N
MW294.42 g/mol
LogP2.90
Rot. Bonds6

About (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide

(2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 126443026) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
PubChem CID126443026
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCCSCCNC(=O)N1CC[C@H]1c1cccc(OC)c1
InChIInChI=1S/C15H22N2O2S/c1-3-20-10-8-16-15(18)17-9-7-14(17)12-5-4-6-13(11-12)19-2/h4-6,11,14H,3,7-10H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeyNOSYFUZKCIHYCX-AWEZNQCLSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 119072220
(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124572131
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 119065873
N-(5-hydroxy-4,4-dimethylpentyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 111755058
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97279560
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205678
2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 51084199
(2R)-N-[2-(2-ethoxyethoxy)phenyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 125168132
3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one
CID 137334837
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 74247323

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide (CID 126443026) is (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide is CCSCCNC(=O)N1CC[C@H]1c1cccc(OC)c1.
What is the InChIKey of (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is NOSYFUZKCIHYCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-20-10-8-16-15(18)17-9-7-14(17)12-5-4-6-13(11-12)19-2/h4-6,11,14H,3,7-10H2,1-2H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide?
(2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 126443026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).