N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide

C15H18N2OS — CID 43726884

IUPACN,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(C)c(NCc2sccc2C)c1
InChIInChI=1S/C15H18N2OS/c1-10-4-5-12(15(18)16-3)8-13(10)17-9-14-11(2)6-7-19-14/h4-8,17H,9H2,1-3H3,(H,16,18)
InChIKeyHIZBFVQKALLFDO-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.34
Rot. Bonds4

About N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide

N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide (PubChem CID 43726884) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
PubChem CID43726884
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(C)c(NCc2sccc2C)c1
InChIInChI=1S/C15H18N2OS/c1-10-4-5-12(15(18)16-3)8-13(10)17-9-14-11(2)6-7-19-14/h4-8,17H,9H2,1-3H3,(H,16,18)
InChIKeyHIZBFVQKALLFDO-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-3-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43680502
N,4-dimethyl-3-(thiophen-3-ylmethylamino)benzamide
CID 43726886
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
CID 43726901
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
CID 63324723
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844
3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide
CID 55109073

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide?
The IUPAC name of N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide (CID 43726884) is N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide?
The canonical SMILES for N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide is CNC(=O)c1ccc(C)c(NCc2sccc2C)c1.
What is the InChIKey of N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide?
The InChIKey is HIZBFVQKALLFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-4-5-12(15(18)16-3)8-13(10)17-9-14-11(2)6-7-19-14/h4-8,17H,9H2,1-3H3,(H,16,18).
What are the key properties of N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide?
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide has a molecular weight of 274.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 43726884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).