4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide

C15H14N2O3S — CID 9441864

IUPAC4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C15H14N2O3S/c16-15(20)10-3-5-11(6-4-10)17-14(19)8-7-12(18)13-2-1-9-21-13/h1-6,9H,7-8H2,(H2,16,20)(H,17,19)
InChIKeyJIYKSRIQCPOEOU-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.45
Rot. Bonds6

About 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide

4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide (PubChem CID 9441864) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
PubChem CID9441864
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C15H14N2O3S/c16-15(20)10-3-5-11(6-4-10)17-14(19)8-7-12(18)13-2-1-9-21-13/h1-6,9H,7-8H2,(H2,16,20)(H,17,19)
InChIKeyJIYKSRIQCPOEOU-UHFFFAOYSA-N
XLogP2.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide?
The IUPAC name of 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide (CID 9441864) is 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide.
What is the SMILES notation for 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide?
The canonical SMILES for 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide is NC(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide?
The InChIKey is JIYKSRIQCPOEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-15(20)10-3-5-11(6-4-10)17-14(19)8-7-12(18)13-2-1-9-21-13/h1-6,9H,7-8H2,(H2,16,20)(H,17,19).
What are the key properties of 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide?
4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide has a molecular weight of 302.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide is sourced from PubChem (CID 9441864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).