3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide

C13H14ClN3OS — CID 66387552

IUPAC3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2sccc2N)c1
InChIInChI=1S/C13H14ClN3OS/c1-16-13(18)8-2-3-9(14)11(6-8)17-7-12-10(15)4-5-19-12/h2-6,17H,7,15H2,1H3,(H,16,18)
InChIKeyYMSSMFFIDOAMRG-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.96
Rot. Bonds4

About 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide

3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide (PubChem CID 66387552) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
PubChem CID66387552
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2sccc2N)c1
InChIInChI=1S/C13H14ClN3OS/c1-16-13(18)8-2-3-9(14)11(6-8)17-7-12-10(15)4-5-19-12/h2-6,17H,7,15H2,1H3,(H,16,18)
InChIKeyYMSSMFFIDOAMRG-UHFFFAOYSA-N
XLogP2.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 79419893
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide
CID 66387930
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765
2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine
CID 113445815
4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
CID 66385780
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide
CID 43786064
4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
CID 43720990

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide?
The IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide (CID 66387552) is 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide.
What is the SMILES notation for 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide?
The canonical SMILES for 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NCc2sccc2N)c1.
What is the InChIKey of 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide?
The InChIKey is YMSSMFFIDOAMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-16-13(18)8-2-3-9(14)11(6-8)17-7-12-10(15)4-5-19-12/h2-6,17H,7,15H2,1H3,(H,16,18).
What are the key properties of 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide?
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide has a molecular weight of 295.80 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 66387552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).