5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide

C19H22N2O2S — CID 42527641

IUPAC5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)s1
InChIInChI=1S/C19H22N2O2S/c1-14-9-10-17(24-14)19(23)20-16-12-18(22)21(13-16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyPKWMRDLICCMAFF-MRXNPFEDSA-N
MW342.46 g/mol
LogP3.02
Rot. Bonds6

About 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide

5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 42527641) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID42527641
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)s1
InChIInChI=1S/C19H22N2O2S/c1-14-9-10-17(24-14)19(23)20-16-12-18(22)21(13-16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyPKWMRDLICCMAFF-MRXNPFEDSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314
2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 56900894
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
2-(dimethylamino)-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 26392506
2-methylsulfanyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 45205295
2-methylsulfanyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 25483856
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 42311318
2-methoxy-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 26333975
2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 42527641) is 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)s1.
What is the InChIKey of 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is PKWMRDLICCMAFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-9-10-17(24-14)19(23)20-16-12-18(22)21(13-16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42527641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).