2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide

C13H14N2OS — CID 113400222

IUPAC2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide
SMILESCNc1ccc(C(=O)Nc2ccsc2)c(C)c1
InChIInChI=1S/C13H14N2OS/c1-9-7-10(14-2)3-4-12(9)13(16)15-11-5-6-17-8-11/h3-8,14H,1-2H3,(H,15,16)
InChIKeyYYRQGGMZGYYLBE-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide

2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide (PubChem CID 113400222) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide
PubChem CID113400222
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide
SMILESCNc1ccc(C(=O)Nc2ccsc2)c(C)c1
InChIInChI=1S/C13H14N2OS/c1-9-7-10(14-2)3-4-12(9)13(16)15-11-5-6-17-8-11/h3-8,14H,1-2H3,(H,15,16)
InChIKeyYYRQGGMZGYYLBE-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
CID 113400170
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
N-methylthiophen-3-amine
CID 642344
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide
CID 107793571
2,4-dihydroxy-N-[2-methyl-4-(methylamino)phenyl]benzamide
CID 143020352
3-(methylamino)-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070562
2-amino-4-fluoro-N-thiophen-3-ylbenzamide
CID 66354589
4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide
CID 107031810
4-(ethylamino)-3-methyl-N-thiophen-3-ylbenzamide
CID 66354623
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
2-bromo-N-thiophen-3-ylthiophene-3-carboxamide
CID 164662365
4-hydroxy-2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 107671338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide?
The IUPAC name of 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide (CID 113400222) is 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide.
What is the SMILES notation for 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide?
The canonical SMILES for 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide is CNc1ccc(C(=O)Nc2ccsc2)c(C)c1.
What is the InChIKey of 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide?
The InChIKey is YYRQGGMZGYYLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-7-10(14-2)3-4-12(9)13(16)15-11-5-6-17-8-11/h3-8,14H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide?
2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide has a molecular weight of 246.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide is sourced from PubChem (CID 113400222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).