N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide

C19H18N2O3S — CID 59736817

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-16-8-6-13(11-17(16)24-2)19(22)21-15-10-12(5-7-14(15)20)18-4-3-9-25-18/h3-11H,20H2,1-2H3,(H,21,22)
InChIKeyWLQSOEXBALPJLL-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.27
Rot. Bonds5

About N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide

N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide (PubChem CID 59736817) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
PubChem CID59736817
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-16-8-6-13(11-17(16)24-2)19(22)21-15-10-12(5-7-14(15)20)18-4-3-9-25-18/h3-11H,20H2,1-2H3,(H,21,22)
InChIKeyWLQSOEXBALPJLL-UHFFFAOYSA-N
XLogP4.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.27
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

3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 59736742
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 11453661
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]benzamide
CID 24947475
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-[methoxy(methyl)phosphanyl]oxyethyl]benzamide
CID 143614063
N-(2-amino-5-thiophen-2-ylphenyl)-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]prop-2-enamide
CID 69101116
[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
CID 154074694
N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 59736937
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide (CID 59736817) is N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1OC.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide?
The InChIKey is WLQSOEXBALPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-16-8-6-13(11-17(16)24-2)19(22)21-15-10-12(5-7-14(15)20)18-4-3-9-25-18/h3-11H,20H2,1-2H3,(H,21,22).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide has a molecular weight of 354.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 59736817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).