N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide

C19H21ClN2O2S — CID 46518836

IUPACN-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O2S/c20-18-8-7-17(25-18)16(23)6-9-19(24)21-15-10-11-22(13-15)12-14-4-2-1-3-5-14/h1-5,7-8,15H,6,9-13H2,(H,21,24)
InChIKeyQJGQNGYMEKPWJB-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.76
Rot. Bonds7

About N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide

N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (PubChem CID 46518836) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
PubChem CID46518836
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O2S/c20-18-8-7-17(25-18)16(23)6-9-19(24)21-15-10-11-22(13-15)12-14-4-2-1-3-5-14/h1-5,7-8,15H,6,9-13H2,(H,21,24)
InChIKeyQJGQNGYMEKPWJB-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
CID 126851463
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-(1-benzylpyrrolidin-3-yl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108392
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18156427
3-(1,3-benzothiazol-2-yl)-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 17440094
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
CID 72937332

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (CID 46518836) is N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)s1)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The InChIKey is QJGQNGYMEKPWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-18-8-7-17(25-18)16(23)6-9-19(24)21-15-10-11-22(13-15)12-14-4-2-1-3-5-14/h1-5,7-8,15H,6,9-13H2,(H,21,24).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide has a molecular weight of 376.91 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 46518836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).