4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide

C14H14N2O3S — CID 71863349

IUPAC4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide
SMILESNC(=O)c1ccc(OCCC(=O)Nc2ccsc2)cc1
InChIInChI=1S/C14H14N2O3S/c15-14(18)10-1-3-12(4-2-10)19-7-5-13(17)16-11-6-8-20-9-11/h1-4,6,8-9H,5,7H2,(H2,15,18)(H,16,17)
InChIKeyFOFZNQZXTFJDJO-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.25
Rot. Bonds6

About 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide

4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide (PubChem CID 71863349) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide.

Molecular Properties

Compound Name4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide
PubChem CID71863349
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide
SMILESNC(=O)c1ccc(OCCC(=O)Nc2ccsc2)cc1
InChIInChI=1S/C14H14N2O3S/c15-14(18)10-1-3-12(4-2-10)19-7-5-13(17)16-11-6-8-20-9-11/h1-4,6,8-9H,5,7H2,(H2,15,18)(H,16,17)
InChIKeyFOFZNQZXTFJDJO-UHFFFAOYSA-N
XLogP2.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
CID 66351848
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123
4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide
CID 95972620
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide
CID 71863401
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 46683346
ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
CID 974922

Frequently Asked Questions

What is the IUPAC name of 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide?
The IUPAC name of 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide (CID 71863349) is 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide.
What is the SMILES notation for 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide?
The canonical SMILES for 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide is NC(=O)c1ccc(OCCC(=O)Nc2ccsc2)cc1.
What is the InChIKey of 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide?
The InChIKey is FOFZNQZXTFJDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-14(18)10-1-3-12(4-2-10)19-7-5-13(17)16-11-6-8-20-9-11/h1-4,6,8-9H,5,7H2,(H2,15,18)(H,16,17).
What are the key properties of 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide?
4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide has a molecular weight of 290.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-oxo-3-(thiophen-3-ylamino)propoxy]benzamide is sourced from PubChem (CID 71863349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).