4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide

C23H24N2O2S2 — CID 55961487

IUPAC4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCCC2c2ccsc2)c1
InChIInChI=1S/C23H24N2O2S2/c26-22(10-2-7-20-8-4-13-29-20)24-19-6-1-5-17(15-19)23(27)25-12-3-9-21(25)18-11-14-28-16-18/h1,4-6,8,11,13-16,21H,2-3,7,9-10,12H2,(H,24,26)
InChIKeyHGYVOEIAHGSHKW-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.75
Rot. Bonds7

About 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide

4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide (PubChem CID 55961487) has the molecular formula C23H24N2O2S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide
PubChem CID55961487
Molecular FormulaC23H24N2O2S2
Molecular Weight424.59 g/mol
Exact Mass424.13
IUPAC Name4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCCC2c2ccsc2)c1
InChIInChI=1S/C23H24N2O2S2/c26-22(10-2-7-20-8-4-13-29-20)24-19-6-1-5-17(15-19)23(27)25-12-3-9-21(25)18-11-14-28-16-18/h1,4-6,8,11,13-16,21H,2-3,7,9-10,12H2,(H,24,26)
InChIKeyHGYVOEIAHGSHKW-UHFFFAOYSA-N
XLogP5.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966656
N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide
CID 56551130
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119412713
1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355077
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 119486542
N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55993255
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
N-[3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966949
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55967041
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide (CID 55961487) is 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide is O=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCCC2c2ccsc2)c1.
What is the InChIKey of 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide?
The InChIKey is HGYVOEIAHGSHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S2/c26-22(10-2-7-20-8-4-13-29-20)24-19-6-1-5-17(15-19)23(27)25-12-3-9-21(25)18-11-14-28-16-18/h1,4-6,8,11,13-16,21H,2-3,7,9-10,12H2,(H,24,26).
What are the key properties of 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide?
4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide has a molecular weight of 424.59 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 55961487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).