3-(3-thiophen-2-ylpropanoylamino)benzamide

C14H14N2O2S — CID 17436122

IUPAC3-(3-thiophen-2-ylpropanoylamino)benzamide
SMILESNC(=O)c1cccc(NC(=O)CCc2cccs2)c1
InChIInChI=1S/C14H14N2O2S/c15-14(18)10-3-1-4-11(9-10)16-13(17)7-6-12-5-2-8-19-12/h1-5,8-9H,6-7H2,(H2,15,18)(H,16,17)
InChIKeyVFABEAZFYDZPHQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.42
Rot. Bonds5

About 3-(3-thiophen-2-ylpropanoylamino)benzamide

3-(3-thiophen-2-ylpropanoylamino)benzamide (PubChem CID 17436122) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-(3-thiophen-2-ylpropanoylamino)benzamide.

Molecular Properties

Compound Name3-(3-thiophen-2-ylpropanoylamino)benzamide
PubChem CID17436122
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name3-(3-thiophen-2-ylpropanoylamino)benzamide
SMILESNC(=O)c1cccc(NC(=O)CCc2cccs2)c1
InChIInChI=1S/C14H14N2O2S/c15-14(18)10-3-1-4-11(9-10)16-13(17)7-6-12-5-2-8-19-12/h1-5,8-9H,6-7H2,(H2,15,18)(H,16,17)
InChIKeyVFABEAZFYDZPHQ-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 25431782
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
CID 61058454
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
2-[[3-(3-thiophen-2-ylpropanoylamino)phenyl]methylsulfanyl]acetic acid
CID 119240584
(2S)-2-[[3-(4-thiophen-2-ylbutanoylamino)benzoyl]amino]propanoic acid
CID 119238490
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458

Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-2-ylpropanoylamino)benzamide?
The IUPAC name of 3-(3-thiophen-2-ylpropanoylamino)benzamide (CID 17436122) is 3-(3-thiophen-2-ylpropanoylamino)benzamide.
What is the SMILES notation for 3-(3-thiophen-2-ylpropanoylamino)benzamide?
The canonical SMILES for 3-(3-thiophen-2-ylpropanoylamino)benzamide is NC(=O)c1cccc(NC(=O)CCc2cccs2)c1.
What is the InChIKey of 3-(3-thiophen-2-ylpropanoylamino)benzamide?
The InChIKey is VFABEAZFYDZPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-14(18)10-3-1-4-11(9-10)16-13(17)7-6-12-5-2-8-19-12/h1-5,8-9H,6-7H2,(H2,15,18)(H,16,17).
What are the key properties of 3-(3-thiophen-2-ylpropanoylamino)benzamide?
3-(3-thiophen-2-ylpropanoylamino)benzamide has a molecular weight of 274.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-2-ylpropanoylamino)benzamide is sourced from PubChem (CID 17436122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).