3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide

C18H20N2O3S — CID 96549349

IUPAC3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-23-15-9-11-24-17(15)18(22)19-14(13-6-3-2-4-7-13)12-20-10-5-8-16(20)21/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyZAVALNHVFGHRJR-AWEZNQCLSA-N
MW344.44 g/mol
LogP2.85
Rot. Bonds6

About 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide

3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 96549349) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide
PubChem CID96549349
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-23-15-9-11-24-17(15)18(22)19-14(13-6-3-2-4-7-13)12-20-10-5-8-16(20)21/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyZAVALNHVFGHRJR-AWEZNQCLSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
2-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 119719349
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
CID 94821155
4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55749944

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide (CID 96549349) is 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide is COc1ccsc1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1.
What is the InChIKey of 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is ZAVALNHVFGHRJR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-15-9-11-24-17(15)18(22)19-14(13-6-3-2-4-7-13)12-20-10-5-8-16(20)21/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide?
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 96549349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).