5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide

C13H13N3O2S — CID 28711815

IUPAC5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NCc2cccs2)cc(C(N)=O)c1
InChIInChI=1S/C13H13N3O2S/c14-12(17)8-4-9(13(15)18)6-10(5-8)16-7-11-2-1-3-19-11/h1-6,16H,7H2,(H2,14,17)(H2,15,18)
InChIKeyVAZBFZZIWIOBSW-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.56
Rot. Bonds5

About 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide

5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide (PubChem CID 28711815) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide
PubChem CID28711815
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NCc2cccs2)cc(C(N)=O)c1
InChIInChI=1S/C13H13N3O2S/c14-12(17)8-4-9(13(15)18)6-10(5-8)16-7-11-2-1-3-19-11/h1-6,16H,7H2,(H2,14,17)(H2,15,18)
InChIKeyVAZBFZZIWIOBSW-UHFFFAOYSA-N
XLogP1.56
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(thiophen-2-ylmethylamino)benzoate
CID 6954625
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
CID 47113148
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 25431782
2-fluoro-4-(thiophen-2-ylmethylamino)benzenecarbothioamide
CID 113295803
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide (CID 28711815) is 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide is NC(=O)c1cc(NCc2cccs2)cc(C(N)=O)c1.
What is the InChIKey of 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide?
The InChIKey is VAZBFZZIWIOBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-12(17)8-4-9(13(15)18)6-10(5-8)16-7-11-2-1-3-19-11/h1-6,16H,7H2,(H2,14,17)(H2,15,18).
What are the key properties of 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide?
5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 28711815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).