N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide

C14H16N2O3S — CID 43549128

IUPACN-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide
SMILESCOc1cc(N)c(NC(=O)Cc2ccsc2)cc1OC
InChIInChI=1S/C14H16N2O3S/c1-18-12-6-10(15)11(7-13(12)19-2)16-14(17)5-9-3-4-20-8-9/h3-4,6-8H,5,15H2,1-2H3,(H,16,17)
InChIKeyYDWVIBCUVVZAFU-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.53
Rot. Bonds5

About N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide

N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide (PubChem CID 43549128) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide
PubChem CID43549128
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide
SMILESCOc1cc(N)c(NC(=O)Cc2ccsc2)cc1OC
InChIInChI=1S/C14H16N2O3S/c1-18-12-6-10(15)11(7-13(12)19-2)16-14(17)5-9-3-4-20-8-9/h3-4,6-8H,5,15H2,1-2H3,(H,16,17)
InChIKeyYDWVIBCUVVZAFU-UHFFFAOYSA-N
XLogP2.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.53
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-(3,4-dimethoxyphenyl)acetamide
CID 28867945
N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide
CID 17419618
3-amino-4-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 63117130
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
CID 43408027
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
N-(2-ethylphenyl)-2-thiophen-3-ylacetamide
CID 7750935
N-(2-amino-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 43152262
N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
CID 79802132
N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
CID 82862101
N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867331
N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide
CID 4787980

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide (CID 43549128) is N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide is COc1cc(N)c(NC(=O)Cc2ccsc2)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide?
The InChIKey is YDWVIBCUVVZAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-12-6-10(15)11(7-13(12)19-2)16-14(17)5-9-3-4-20-8-9/h3-4,6-8H,5,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide?
N-(2-amino-4,5-dimethoxyphenyl)-2-thiophen-3-ylacetamide has a molecular weight of 292.36 g/mol, XLogP of 2.53, 5 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)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 43549128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).