N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide

C13H14N2O2S — CID 63258266

IUPACN-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C13H14N2O2S/c1-8-3-6-12(18-8)13(16)15-11-7-9(17-2)4-5-10(11)14/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyBQZMEYDGTZUKKI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.90
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 63258266) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID63258266
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C13H14N2O2S/c1-8-3-6-12(18-8)13(16)15-11-7-9(17-2)4-5-10(11)14/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyBQZMEYDGTZUKKI-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 43549139
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
N-(2-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 55169355
N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103805177
N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 18072015
N-(2-amino-5-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 63257703
N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
CID 63257918
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266934
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440
N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 119421156
N-[1-(4-methoxyphenyl)-2-methylpropyl]-5-methylthiophene-2-carboxamide
CID 60605702

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 63258266) is N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide is COc1ccc(N)c(NC(=O)c2ccc(C)s2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is BQZMEYDGTZUKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-3-6-12(18-8)13(16)15-11-7-9(17-2)4-5-10(11)14/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 63258266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).