3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide

C22H22N2O4S — CID 55793294

IUPAC3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(NC(=O)COC)c1
InChIInChI=1S/C22H22N2O4S/c1-3-28-18-13-19(15-8-5-4-6-9-15)29-21(18)22(26)24-17-11-7-10-16(12-17)23-20(25)14-27-2/h4-13H,3,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPTWXQLIWQZMMSA-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.65
Rot. Bonds8

About 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide

3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide (PubChem CID 55793294) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide
PubChem CID55793294
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(NC(=O)COC)c1
InChIInChI=1S/C22H22N2O4S/c1-3-28-18-13-19(15-8-5-4-6-9-15)29-21(18)22(26)24-17-11-7-10-16(12-17)23-20(25)14-27-2/h4-13H,3,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPTWXQLIWQZMMSA-UHFFFAOYSA-N
XLogP4.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55834572
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 52652606
3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide
CID 55792504
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide
CID 55831825
3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide
CID 55796192
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 98518406
3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386060
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 55567080
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide (CID 55793294) is 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(NC(=O)COC)c1.
What is the InChIKey of 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide?
The InChIKey is PTWXQLIWQZMMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-3-28-18-13-19(15-8-5-4-6-9-15)29-21(18)22(26)24-17-11-7-10-16(12-17)23-20(25)14-27-2/h4-13H,3,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide?
3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55793294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).