3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide

C15H19N3OS — CID 82988987

IUPAC3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
SMILESCCC(Nc1ccc(C(=O)NC)cc1N)c1cccs1
InChIInChI=1S/C15H19N3OS/c1-3-12(14-5-4-8-20-14)18-13-7-6-10(9-11(13)16)15(19)17-2/h4-9,12,18H,3,16H2,1-2H3,(H,17,19)
InChIKeyNZBLXWMDHAHCJN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.25
Rot. Bonds5

About 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide

3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide (PubChem CID 82988987) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
PubChem CID82988987
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
SMILESCCC(Nc1ccc(C(=O)NC)cc1N)c1cccs1
InChIInChI=1S/C15H19N3OS/c1-3-12(14-5-4-8-20-14)18-13-7-6-10(9-11(13)16)15(19)17-2/h4-9,12,18H,3,16H2,1-2H3,(H,17,19)
InChIKeyNZBLXWMDHAHCJN-UHFFFAOYSA-N
XLogP3.25
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide 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-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide
CID 63357349
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 43706677
N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
CID 43734480
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
CID 82991950
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone
CID 104612544
6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine
CID 107489486
2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349782

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide (CID 82988987) is 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide is CCC(Nc1ccc(C(=O)NC)cc1N)c1cccs1.
What is the InChIKey of 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide?
The InChIKey is NZBLXWMDHAHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-12(14-5-4-8-20-14)18-13-7-6-10(9-11(13)16)15(19)17-2/h4-9,12,18H,3,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide?
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide is sourced from PubChem (CID 82988987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).