2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide

C14H16N2OS — CID 62842689

IUPAC2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
SMILESCc1cccc(C(=O)NC(C)c2ccsc2)c1N
InChIInChI=1S/C14H16N2OS/c1-9-4-3-5-12(13(9)15)14(17)16-10(2)11-6-7-18-8-11/h3-8,10H,15H2,1-2H3,(H,16,17)
InChIKeyDMGLCGVNWRGAQC-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.13
Rot. Bonds3

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

2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide (PubChem CID 62842689) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
PubChem CID62842689
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
SMILESCc1cccc(C(=O)NC(C)c2ccsc2)c1N
InChIInChI=1S/C14H16N2OS/c1-9-4-3-5-12(13(9)15)14(17)16-10(2)11-6-7-18-8-11/h3-8,10H,15H2,1-2H3,(H,16,17)
InChIKeyDMGLCGVNWRGAQC-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
5-amino-2-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 55122397
3-amino-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115548964
2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401935
6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 62844800
2-(ethylamino)-N-(1-thiophen-3-ylethyl)benzamide
CID 55127001
4-amino-2-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840251
2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 55122299
3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115549594
3-amino-N-(1-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 62840601
2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115936726
3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 104742232

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide (CID 62842689) is 2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide is Cc1cccc(C(=O)NC(C)c2ccsc2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide?
The InChIKey is DMGLCGVNWRGAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-4-3-5-12(13(9)15)14(17)16-10(2)11-6-7-18-8-11/h3-8,10H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide?
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide has a molecular weight of 260.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 62842689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).