(2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide

C19H20N2O2S — CID 7693831

IUPAC(2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide
SMILESO=C1C[C@](C(=O)NC2CCCC2)(c2ccsc2)N1c1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-17-12-19(14-10-11-24-13-14,18(23)20-15-6-4-5-7-15)21(17)16-8-2-1-3-9-16/h1-3,8-11,13,15H,4-7,12H2,(H,20,23)/t19-/m1/s1
InChIKeyCOSSAHVBRQWPAH-LJQANCHMSA-N
MW340.45 g/mol
LogP3.44
Rot. Bonds4

About (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide

(2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide (PubChem CID 7693831) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide
PubChem CID7693831
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide
SMILESO=C1C[C@](C(=O)NC2CCCC2)(c2ccsc2)N1c1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-17-12-19(14-10-11-24-13-14,18(23)20-15-6-4-5-7-15)21(17)16-8-2-1-3-9-16/h1-3,8-11,13,15H,4-7,12H2,(H,20,23)/t19-/m1/s1
InChIKeyCOSSAHVBRQWPAH-LJQANCHMSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N,1,2-triphenylazetidine-2-carboxamide
CID 4564262
(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468011
N-cyclopentyl-4-oxo-2-(2-phenylethenyl)-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide
CID 3221439
N-cyclopentyl-4-thiophen-3-ylbenzamide
CID 20974787
N-cyclohexyl-4-thiophen-3-ylbenzamide
CID 20974786
N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 3153762
1-(4-chlorophenyl)-N-cyclohexyl-5-nitro-3-oxo-2-phenylisoindole-1-carboxamide
CID 154709289
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 1469478
N-cyclopentyl-1-(4-fluorophenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247039
N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide
CID 43822320
N-cyclohexyl-1-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 3219563

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide (CID 7693831) is (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide is O=C1C[C@](C(=O)NC2CCCC2)(c2ccsc2)N1c1ccccc1.
What is the InChIKey of (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide?
The InChIKey is COSSAHVBRQWPAH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-17-12-19(14-10-11-24-13-14,18(23)20-15-6-4-5-7-15)21(17)16-8-2-1-3-9-16/h1-3,8-11,13,15H,4-7,12H2,(H,20,23)/t19-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide?
(2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-4-oxo-1-phenyl-2-thiophen-3-ylazetidine-2-carboxamide is sourced from PubChem (CID 7693831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).