4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide

C14H15N3O2S — CID 47113148

IUPAC4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H15N3O2S/c15-14(19)10-3-5-11(6-4-10)16-9-13(18)17-8-12-2-1-7-20-12/h1-7,16H,8-9H2,(H2,15,19)(H,17,18)
InChIKeyNKJVGTOGYRQECO-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.58
Rot. Bonds6

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

4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide (PubChem CID 47113148) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
PubChem CID47113148
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H15N3O2S/c15-14(19)10-3-5-11(6-4-10)16-9-13(18)17-8-12-2-1-7-20-12/h1-7,16H,8-9H2,(H2,15,19)(H,17,18)
InChIKeyNKJVGTOGYRQECO-UHFFFAOYSA-N
XLogP1.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 37474298
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4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33161762
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 30717585
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
4-[3-(thiophen-2-ylmethylcarbamoylamino)prop-1-ynyl]benzamide
CID 90553410
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
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CID 91963552

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide?
The IUPAC name of 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide (CID 47113148) is 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide?
The canonical SMILES for 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide is NC(=O)c1ccc(NCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide?
The InChIKey is NKJVGTOGYRQECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c15-14(19)10-3-5-11(6-4-10)16-9-13(18)17-8-12-2-1-7-20-12/h1-7,16H,8-9H2,(H2,15,19)(H,17,18).
What are the key properties of 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide?
4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide has a molecular weight of 289.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide is sourced from PubChem (CID 47113148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).