5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide

C13H14ClN3OS — CID 107194939

IUPAC5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCc1ccsc1
InChIInChI=1S/C13H14ClN3OS/c14-11-6-9(15)5-10(13(16)18)12(11)17-3-1-8-2-4-19-7-8/h2,4-7,17H,1,3,15H2,(H2,16,18)
InChIKeyIWGNCYLXDUJKAH-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.74
Rot. Bonds5

About 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide

5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide (PubChem CID 107194939) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
PubChem CID107194939
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCc1ccsc1
InChIInChI=1S/C13H14ClN3OS/c14-11-6-9(15)5-10(13(16)18)12(11)17-3-1-8-2-4-19-7-8/h2,4-7,17H,1,3,15H2,(H2,16,18)
InChIKeyIWGNCYLXDUJKAH-UHFFFAOYSA-N
XLogP2.74
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.74
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

5-amino-2-(2-thiophen-3-ylethylamino)benzamide
CID 61475711
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
CID 107194330
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114128998
5-amino-2-(thiophen-3-ylmethylamino)benzamide
CID 63244338
5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
CID 107185130
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide (CID 107194939) is 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCCc1ccsc1.
What is the InChIKey of 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide?
The InChIKey is IWGNCYLXDUJKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c14-11-6-9(15)5-10(13(16)18)12(11)17-3-1-8-2-4-19-7-8/h2,4-7,17H,1,3,15H2,(H2,16,18).
What are the key properties of 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide?
5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide has a molecular weight of 295.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide is sourced from PubChem (CID 107194939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).