(3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide

C19H21N3O2S — CID 6881516

IUPAC(3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)N/N=C/c3sccc3C)CC2=O)cc1
InChIInChI=1S/C19H21N3O2S/c1-3-14-4-6-16(7-5-14)22-12-15(10-18(22)23)19(24)21-20-11-17-13(2)8-9-25-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,21,24)/b20-11+/t15-/m1/s1
InChIKeyPURZZNDYDVSQGG-PZUDMAOCSA-N
MW355.46 g/mol
LogP3.12
Rot. Bonds5

About (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6881516) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
PubChem CID6881516
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)N/N=C/c3sccc3C)CC2=O)cc1
InChIInChI=1S/C19H21N3O2S/c1-3-14-4-6-16(7-5-14)22-12-15(10-18(22)23)19(24)21-20-11-17-13(2)8-9-25-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,21,24)/b20-11+/t15-/m1/s1
InChIKeyPURZZNDYDVSQGG-PZUDMAOCSA-N
XLogP3.12
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(E)-(2-chlorophenyl)methylideneamino]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126169970
(3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39869218
(3S)-N-[(E)-anthracen-9-ylmethylideneamino]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126161540
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide
CID 2883253
(3R)-N-[(Z)-benzylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5392258
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(E)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide
CID 6897475
(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438685
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 555109
(3R)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159471

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide (CID 6881516) is (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2C[C@H](C(=O)N/N=C/c3sccc3C)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PURZZNDYDVSQGG-PZUDMAOCSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-14-4-6-16(7-5-14)22-12-15(10-18(22)23)19(24)21-20-11-17-13(2)8-9-25-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,21,24)/b20-11+/t15-/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6881516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).