1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone

C17H17NO2S — CID 97041732

IUPAC1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
SMILESO=C(C[C@@H]1CCCN1C(=O)c1ccsc1)c1ccccc1
InChIInChI=1S/C17H17NO2S/c19-16(13-5-2-1-3-6-13)11-15-7-4-9-18(15)17(20)14-8-10-21-12-14/h1-3,5-6,8,10,12,15H,4,7,9,11H2/t15-/m0/s1
InChIKeyMDOCCPDGRVUOOZ-HNNXBMFYSA-N
MW299.39 g/mol
LogP3.63
Rot. Bonds4

About 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone

1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone (PubChem CID 97041732) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
PubChem CID97041732
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
SMILESO=C(C[C@@H]1CCCN1C(=O)c1ccsc1)c1ccccc1
InChIInChI=1S/C17H17NO2S/c19-16(13-5-2-1-3-6-13)11-15-7-4-9-18(15)17(20)14-8-10-21-12-14/h1-3,5-6,8,10,12,15H,4,7,9,11H2/t15-/m0/s1
InChIKeyMDOCCPDGRVUOOZ-HNNXBMFYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-acetylbenzoyl)pyrrolidin-2-yl]-1-phenylethanone
CID 75425281
5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 97041948
2-[3-[(2S)-2-phenacylpyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 97041772
3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile
CID 97041924
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone
CID 86785890
1-phenyl-2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 122138155
2-[(2S)-1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]pyrrolidin-2-yl]-1-phenylethanone
CID 129424810
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone (CID 97041732) is 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone is O=C(C[C@@H]1CCCN1C(=O)c1ccsc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone?
The InChIKey is MDOCCPDGRVUOOZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-16(13-5-2-1-3-6-13)11-15-7-4-9-18(15)17(20)14-8-10-21-12-14/h1-3,5-6,8,10,12,15H,4,7,9,11H2/t15-/m0/s1.
What are the key properties of 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone?
1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone has a molecular weight of 299.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 97041732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).