N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C18H20N2O3S — CID 90583950

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOC(CNC(=O)C1CC(=O)N(c2ccccc2)C1)c1ccsc1
InChIInChI=1S/C18H20N2O3S/c1-23-16(13-7-8-24-12-13)10-19-18(22)14-9-17(21)20(11-14)15-5-3-2-4-6-15/h2-8,12,14,16H,9-11H2,1H3,(H,19,22)
InChIKeyGGHLJCZJDHFGKB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.60
Rot. Bonds6

About N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 90583950) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID90583950
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOC(CNC(=O)C1CC(=O)N(c2ccccc2)C1)c1ccsc1
InChIInChI=1S/C18H20N2O3S/c1-23-16(13-7-8-24-12-13)10-19-18(22)14-9-17(21)20(11-14)15-5-3-2-4-6-15/h2-8,12,14,16H,9-11H2,1H3,(H,19,22)
InChIKeyGGHLJCZJDHFGKB-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 90583967
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 111441332
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119529526
1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46592191
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-(3-hydroxy-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90499575
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32630812

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 90583950) is N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is COC(CNC(=O)C1CC(=O)N(c2ccccc2)C1)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is GGHLJCZJDHFGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-16(13-7-8-24-12-13)10-19-18(22)14-9-17(21)20(11-14)15-5-3-2-4-6-15/h2-8,12,14,16H,9-11H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 90583950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).