3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide

C15H18N2OS — CID 61107639

IUPAC3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2sccc2N)cc1
InChIInChI=1S/C15H18N2OS/c1-10-4-6-12(7-5-10)11(2)17(3)15(18)14-13(16)8-9-19-14/h4-9,11H,16H2,1-3H3
InChIKeyZWRUDJPCIUQFHH-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.47
Rot. Bonds3

About 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide

3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 61107639) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID61107639
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2sccc2N)cc1
InChIInChI=1S/C15H18N2OS/c1-10-4-6-12(7-5-10)11(2)17(3)15(18)14-13(16)8-9-19-14/h4-9,11H,16H2,1-3H3
InChIKeyZWRUDJPCIUQFHH-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 61139721
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
3-amino-N,N-dimethylthiophene-2-carboxamide
CID 61092296
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 78973314
3-methoxy-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]thiophene-2-carboxamide
CID 71982592
3-methoxy-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]thiophene-2-carboxamide
CID 96561810
3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119717391
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 134054140
2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 62792415

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide (CID 61107639) is 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2sccc2N)cc1.
What is the InChIKey of 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is ZWRUDJPCIUQFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-4-6-12(7-5-10)11(2)17(3)15(18)14-13(16)8-9-19-14/h4-9,11H,16H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 61107639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).