1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one

C17H19NOS — CID 155513706

IUPAC1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccsc2)cc1)N1CCCC1
InChIInChI=1S/C17H19NOS/c19-17(18-10-1-2-11-18)8-5-14-3-6-15(7-4-14)16-9-12-20-13-16/h3-4,6-7,9,12-13H,1-2,5,8,10-11H2
InChIKeyCHSSHLYQIWBZEF-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.97
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one

1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one (PubChem CID 155513706) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one
PubChem CID155513706
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccsc2)cc1)N1CCCC1
InChIInChI=1S/C17H19NOS/c19-17(18-10-1-2-11-18)8-5-14-3-6-15(7-4-14)16-9-12-20-13-16/h3-4,6-7,9,12-13H,1-2,5,8,10-11H2
InChIKeyCHSSHLYQIWBZEF-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404
(4-Tert-butylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 16312479
7-(4-methylsulfanylphenyl)-6-thiophen-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 24857934
7-(4-methylsulfanylphenyl)-6-thiophen-3-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 24857935
N-(2-methylpropyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110244140
2-Phenyl-3-(pyrrolidin-1-yl)-1-(thiophen-2-yl)propan-1-one--hydrogen chloride (1/1)
CID 208028
(3-Phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
(4R,5R)-5-(Fluoro-thiophen-2-yl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44398130

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one (CID 155513706) is 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one is O=C(CCc1ccc(-c2ccsc2)cc1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one?
The InChIKey is CHSSHLYQIWBZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(18-10-1-2-11-18)8-5-14-3-6-15(7-4-14)16-9-12-20-13-16/h3-4,6-7,9,12-13H,1-2,5,8,10-11H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one?
1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one has a molecular weight of 285.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one is sourced from PubChem (CID 155513706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).