N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide

C13H14N2O2S — CID 18072015

IUPACN-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1ccc(C)s1
InChIInChI=1S/C13H14N2O2S/c1-8-3-6-12(18-8)13(16)15-10-5-4-9(14)7-11(10)17-2/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyBMUBKRHPLJOAMS-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.90
Rot. Bonds3

About N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 18072015) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID18072015
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1ccc(C)s1
InChIInChI=1S/C13H14N2O2S/c1-8-3-6-12(18-8)13(16)15-10-5-4-9(14)7-11(10)17-2/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyBMUBKRHPLJOAMS-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-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 43549139
N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
CID 43548914
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266
4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 55178097
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 61074376
methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate
CID 87028686
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
N-(4-amino-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 16773170
N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 16790725
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 18072015) is N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide is COc1cc(N)ccc1NC(=O)c1ccc(C)s1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is BMUBKRHPLJOAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-3-6-12(18-8)13(16)15-10-5-4-9(14)7-11(10)17-2/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-(4-amino-2-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-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 18072015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).