N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide

C14H16N2O3S — CID 79802132

IUPACN-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2cscc2C)cc1OC
InChIInChI=1S/C14H16N2O3S/c1-8-6-20-7-9(8)14(17)16-11-5-13(19-3)12(18-2)4-10(11)15/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyKTHULNIJCNWCGY-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.91
Rot. Bonds4

About N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide

N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide (PubChem CID 79802132) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
PubChem CID79802132
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2cscc2C)cc1OC
InChIInChI=1S/C14H16N2O3S/c1-8-6-20-7-9(8)14(17)16-11-5-13(19-3)12(18-2)4-10(11)15/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyKTHULNIJCNWCGY-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-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
CID 43549154
N-(2-aminophenyl)-4-methylthiophene-3-carboxamide
CID 79802569
N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
CID 43549160
N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 43549139
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide
CID 43549128
N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide
CID 106752394
N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802397
N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
CID 172831967
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
N-(2-amino-5-chloro-4-methylphenyl)-5-chloro-2-methoxybenzamide
CID 91687657

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide (CID 79802132) is N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide is COc1cc(N)c(NC(=O)c2cscc2C)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide?
The InChIKey is KTHULNIJCNWCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-6-20-7-9(8)14(17)16-11-5-13(19-3)12(18-2)4-10(11)15/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide?
N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-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)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).