N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide

C20H17NO2S — CID 16552293

IUPACN-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H17NO2S/c22-20(9-3-5-15-6-4-12-24-15)21-14-10-11-19-17(13-14)16-7-1-2-8-18(16)23-19/h1-2,4,6-8,10-13H,3,5,9H2,(H,21,22)
InChIKeyVCRGNPMVXQNGFR-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.61
Rot. Bonds5

About N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide

N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide (PubChem CID 16552293) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
PubChem CID16552293
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC NameN-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H17NO2S/c22-20(9-3-5-15-6-4-12-24-15)21-14-10-11-19-17(13-14)16-7-1-2-8-18(16)23-19/h1-2,4,6-8,10-13H,3,5,9H2,(H,21,22)
InChIKeyVCRGNPMVXQNGFR-UHFFFAOYSA-N
XLogP5.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 82862241
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607455
N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607454
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320
N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 131916019
N-dibenzofuran-2-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18226286
N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide
CID 71761280

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide (CID 16552293) is N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide?
The InChIKey is VCRGNPMVXQNGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c22-20(9-3-5-15-6-4-12-24-15)21-14-10-11-19-17(13-14)16-7-1-2-8-18(16)23-19/h1-2,4,6-8,10-13H,3,5,9H2,(H,21,22).
What are the key properties of N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide?
N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide has a molecular weight of 335.43 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 16552293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).