4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide

C19H22N2O2S — CID 126851463

IUPAC4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C19H22N2O2S/c22-18(16-4-2-1-3-5-16)6-7-19(23)20-17-8-10-21(13-17)12-15-9-11-24-14-15/h1-5,9,11,14,17H,6-8,10,12-13H2,(H,20,23)
InChIKeyHMSZMWLGQMGPOJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.10
Rot. Bonds7

About 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide

4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide (PubChem CID 126851463) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
PubChem CID126851463
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C19H22N2O2S/c22-18(16-4-2-1-3-5-16)6-7-19(23)20-17-8-10-21(13-17)12-15-9-11-24-14-15/h1-5,9,11,14,17H,6-8,10,12-13H2,(H,20,23)
InChIKeyHMSZMWLGQMGPOJ-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18156372
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 126855428
N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 46518836
3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
CID 171137288
N-(1-benzylpyrrolidin-3-yl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108392
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164635055
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide (CID 126851463) is 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide is O=C(CCC(=O)c1ccccc1)NC1CCN(Cc2ccsc2)C1.
What is the InChIKey of 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide?
The InChIKey is HMSZMWLGQMGPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18(16-4-2-1-3-5-16)6-7-19(23)20-17-8-10-21(13-17)12-15-9-11-24-14-15/h1-5,9,11,14,17H,6-8,10,12-13H2,(H,20,23).
What are the key properties of 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide?
4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide has a molecular weight of 342.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 126851463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).