4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

C15H18N2O3S — CID 61113758

IUPAC4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc(N)c(C)s2)c1
InChIInChI=1S/C15H18N2O3S/c1-9-12(16)7-14(21-9)15(18)17-8-10-6-11(19-2)4-5-13(10)20-3/h4-7H,8,16H2,1-3H3,(H,17,18)
InChIKeyAGOQLWFIYYXSAW-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.59
Rot. Bonds5

About 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide

4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 61113758) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID61113758
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc(N)c(C)s2)c1
InChIInChI=1S/C15H18N2O3S/c1-9-12(16)7-14(21-9)15(18)17-8-10-6-11(19-2)4-5-13(10)20-3/h4-7H,8,16H2,1-3H3,(H,17,18)
InChIKeyAGOQLWFIYYXSAW-UHFFFAOYSA-N
XLogP2.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62793362
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53124497
4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 86925550
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119278486
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 5060578
5-(azepan-1-ylsulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53066338
N-[(2,5-dimethoxyphenyl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 34866981
(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 62162231

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide (CID 61113758) is 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is COc1ccc(OC)c(CNC(=O)c2cc(N)c(C)s2)c1.
What is the InChIKey of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is AGOQLWFIYYXSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-12(16)7-14(21-9)15(18)17-8-10-6-11(19-2)4-5-13(10)20-3/h4-7H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61113758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).