N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide

C17H21N3O2S — CID 34598248

IUPACN,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-19(2)17(22)14-5-4-6-15(9-14)18-16(21)11-20(3)10-13-7-8-23-12-13/h4-9,12H,10-11H2,1-3H3,(H,18,21)
InChIKeyGDLFFHOIDINMLH-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.52
Rot. Bonds6

About N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide

N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide (PubChem CID 34598248) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide
PubChem CID34598248
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-19(2)17(22)14-5-4-6-15(9-14)18-16(21)11-20(3)10-13-7-8-23-12-13/h4-9,12H,10-11H2,1-3H3,(H,18,21)
InChIKeyGDLFFHOIDINMLH-UHFFFAOYSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]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

N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863
N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054347
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 28778986
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
N-(5-chloro-2-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054913
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925838
3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 119049014
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide (CID 34598248) is N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide is CN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccsc1.
What is the InChIKey of N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide?
The InChIKey is GDLFFHOIDINMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19(2)17(22)14-5-4-6-15(9-14)18-16(21)11-20(3)10-13-7-8-23-12-13/h4-9,12H,10-11H2,1-3H3,(H,18,21).
What are the key properties of N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide?
N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide has a molecular weight of 331.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 34598248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).