3-amino-4-(2-thiophen-2-ylethylamino)benzamide

C13H15N3OS — CID 43382673

IUPAC3-amino-4-(2-thiophen-2-ylethylamino)benzamide
SMILESNC(=O)c1ccc(NCCc2cccs2)c(N)c1
InChIInChI=1S/C13H15N3OS/c14-11-8-9(13(15)17)3-4-12(11)16-6-5-10-2-1-7-18-10/h1-4,7-8,16H,5-6,14H2,(H2,15,17)
InChIKeyZLUSYNXACSYXRU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.08
Rot. Bonds5

About 3-amino-4-(2-thiophen-2-ylethylamino)benzamide

3-amino-4-(2-thiophen-2-ylethylamino)benzamide (PubChem CID 43382673) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-amino-4-(2-thiophen-2-ylethylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(2-thiophen-2-ylethylamino)benzamide
PubChem CID43382673
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-amino-4-(2-thiophen-2-ylethylamino)benzamide
SMILESNC(=O)c1ccc(NCCc2cccs2)c(N)c1
InChIInChI=1S/C13H15N3OS/c14-11-8-9(13(15)17)3-4-12(11)16-6-5-10-2-1-7-18-10/h1-4,7-8,16H,5-6,14H2,(H2,15,17)
InChIKeyZLUSYNXACSYXRU-UHFFFAOYSA-N
XLogP2.08
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
CID 63360728
3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106035993
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-(3-methylsulfinylpropylamino)benzamide
CID 113487205
6-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 28904330
3-amino-4-(1,3-thiazol-2-ylmethylamino)benzamide
CID 61284227
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide
CID 78969745
6-(2-thiophen-2-ylethylamino)pyridazine-3-carboxamide
CID 79006069
5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid
CID 43322707

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-thiophen-2-ylethylamino)benzamide?
The IUPAC name of 3-amino-4-(2-thiophen-2-ylethylamino)benzamide (CID 43382673) is 3-amino-4-(2-thiophen-2-ylethylamino)benzamide.
What is the SMILES notation for 3-amino-4-(2-thiophen-2-ylethylamino)benzamide?
The canonical SMILES for 3-amino-4-(2-thiophen-2-ylethylamino)benzamide is NC(=O)c1ccc(NCCc2cccs2)c(N)c1.
What is the InChIKey of 3-amino-4-(2-thiophen-2-ylethylamino)benzamide?
The InChIKey is ZLUSYNXACSYXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-11-8-9(13(15)17)3-4-12(11)16-6-5-10-2-1-7-18-10/h1-4,7-8,16H,5-6,14H2,(H2,15,17).
What are the key properties of 3-amino-4-(2-thiophen-2-ylethylamino)benzamide?
3-amino-4-(2-thiophen-2-ylethylamino)benzamide has a molecular weight of 261.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-thiophen-2-ylethylamino)benzamide is sourced from PubChem (CID 43382673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).