N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide

C21H19NO2S — CID 47092796

IUPACN-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C21H19NO2S/c23-20(13-5-11-19-12-6-14-25-19)22-18-10-4-9-17(15-18)21(24)16-7-2-1-3-8-16/h1-4,6-10,12,14-15H,5,11,13H2,(H,22,23)
InChIKeyUSZOOWLBHYVKLE-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.94
Rot. Bonds7

About N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide

N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide (PubChem CID 47092796) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
PubChem CID47092796
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C21H19NO2S/c23-20(13-5-11-19-12-6-14-25-19)22-18-10-4-9-17(15-18)21(24)16-7-2-1-3-8-16/h1-4,6-10,12,14-15H,5,11,13H2,(H,22,23)
InChIKeyUSZOOWLBHYVKLE-UHFFFAOYSA-N
XLogP4.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
(2S)-2-[[3-(4-thiophen-2-ylbutanoylamino)benzoyl]amino]propanoic acid
CID 119238490
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723262
1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355077
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723792

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide (CID 47092796) is N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is USZOOWLBHYVKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c23-20(13-5-11-19-12-6-14-25-19)22-18-10-4-9-17(15-18)21(24)16-7-2-1-3-8-16/h1-4,6-10,12,14-15H,5,11,13H2,(H,22,23).
What are the key properties of N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide?
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide has a molecular weight of 349.46 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 47092796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).