3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide

C14H16N2O2S — CID 54980615

IUPAC3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2sccc2N)c1
InChIInChI=1S/C14H16N2O2S/c1-16(14(17)13-12(15)6-7-19-13)9-10-4-3-5-11(8-10)18-2/h3-8H,9,15H2,1-2H3
InChIKeyJYJGUBGSAXKJNX-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide

3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 54980615) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID54980615
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2sccc2N)c1
InChIInChI=1S/C14H16N2O2S/c1-16(14(17)13-12(15)6-7-19-13)9-10-4-3-5-11(8-10)18-2/h3-8H,9,15H2,1-2H3
InChIKeyJYJGUBGSAXKJNX-UHFFFAOYSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81116579
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 61116342
5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 54980615) is 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is COc1cccc(CN(C)C(=O)c2sccc2N)c1.
What is the InChIKey of 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is JYJGUBGSAXKJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16(14(17)13-12(15)6-7-19-13)9-10-4-3-5-11(8-10)18-2/h3-8H,9,15H2,1-2H3.
What are the key properties of 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 54980615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).