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

C14H16N2O3S — CID 43549139

IUPACN-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C14H16N2O3S/c1-8-4-5-13(20-8)14(17)16-10-7-12(19-3)11(18-2)6-9(10)15/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyAKKHOMLUWCBQPS-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.91
Rot. Bonds4

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

N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 43549139) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID43549139
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C14H16N2O3S/c1-8-4-5-13(20-8)14(17)16-10-7-12(19-3)11(18-2)6-9(10)15/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyAKKHOMLUWCBQPS-UHFFFAOYSA-N
XLogP2.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266
N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 18072015
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 61074376
N-(2-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 55169355
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514
N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
CID 79802132
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
CID 43549154
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
N-(3-amino-4-pyridinyl)-5-methylthiophene-2-carboxamide
CID 63062085

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide (CID 43549139) is N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide is COc1cc(N)c(NC(=O)c2ccc(C)s2)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is AKKHOMLUWCBQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-4-5-13(20-8)14(17)16-10-7-12(19-3)11(18-2)6-9(10)15/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide?
N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 43549139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).