3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid

C20H17N3O5S — CID 2814702

IUPAC3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2nccnc2C(=O)O)s1
InChIInChI=1S/C20H17N3O5S/c1-3-13-10-14(17(24)11-4-6-12(28-2)7-5-11)19(29-13)23-18(25)15-16(20(26)27)22-9-8-21-15/h4-10H,3H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyCGCYKKSFJUGNFM-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.29
Rot. Bonds7

About 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid

3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 2814702) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID2814702
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC Name3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2nccnc2C(=O)O)s1
InChIInChI=1S/C20H17N3O5S/c1-3-13-10-14(17(24)11-4-6-12(28-2)7-5-11)19(29-13)23-18(25)15-16(20(26)27)22-9-8-21-15/h4-10H,3H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyCGCYKKSFJUGNFM-UHFFFAOYSA-N
XLogP3.29
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid 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

[2-[[3-Ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950235
3-((3-(Ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)pyrazine-2-carboxylic acid
CID 3535870
Methyl 5-phenyl-2-[(2-pyrazinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1225615
3-[[3-Ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 3531093
Propyl 4-(4-methoxyphenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
CID 1748081
Ethyl 5-(3,4-dimethoxyphenyl)-3-(pyrazine-2-carbonylamino)thiophene-2-carboxylate
CID 18204045
N-Cyclopentyl-2-(2-methoxyphenyl)-2-[1-(pyrazin-2-YL)-N-(thiophen-2-YL)formamido]acetamide
CID 46262687
Methyl 5-benzyl-2-(pyrazin-2-ylcarbonylamino)thiophene-3-carboxylate
CID 4617871
2-[3-[6-(2-Methoxyphenyl)-3-pyridinyl]propanoylamino]thiophene-3-carboxylic acid
CID 16047819
5-[(4-Methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 59453560
5-[(3,4-Dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
CID 90175251
2-[(5-methoxypyridine-2-carbonyl)amino]-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid
CID 139391475

Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid (CID 2814702) is 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid is CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2nccnc2C(=O)O)s1.
What is the InChIKey of 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is CGCYKKSFJUGNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-3-13-10-14(17(24)11-4-6-12(28-2)7-5-11)19(29-13)23-18(25)15-16(20(26)27)22-9-8-21-15/h4-10H,3H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 411.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 2814702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).