3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid

C30H32N2O5S — CID 24945003

IUPAC3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid
SMILESCCOCCN(C(=O)C1CCC(C)CC1)c1cc(-c2ccc(-c3cc4ncccc4o3)cc2)sc1C(=O)O
InChIInChI=1S/C30H32N2O5S/c1-3-36-16-15-32(29(33)22-8-6-19(2)7-9-22)24-18-27(38-28(24)30(34)35)21-12-10-20(11-13-21)26-17-23-25(37-26)5-4-14-31-23/h4-5,10-14,17-19,22H,3,6-9,15-16H2,1-2H3,(H,34,35)
InChIKeyBIVVMRWVJIYKFG-UHFFFAOYSA-N
MW532.66 g/mol
LogP7.12
Rot. Bonds9

About 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid

3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid (PubChem CID 24945003) has the molecular formula C30H32N2O5S and a molecular weight of 532.66 g/mol. Its IUPAC name is 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid
PubChem CID24945003
Molecular FormulaC30H32N2O5S
Molecular Weight532.66 g/mol
Exact Mass532.20
IUPAC Name3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid
SMILESCCOCCN(C(=O)C1CCC(C)CC1)c1cc(-c2ccc(-c3cc4ncccc4o3)cc2)sc1C(=O)O
InChIInChI=1S/C30H32N2O5S/c1-3-36-16-15-32(29(33)22-8-6-19(2)7-9-22)24-18-27(38-28(24)30(34)35)21-12-10-20(11-13-21)26-17-23-25(37-26)5-4-14-31-23/h4-5,10-14,17-19,22H,3,6-9,15-16H2,1-2H3,(H,34,35)
InChIKeyBIVVMRWVJIYKFG-UHFFFAOYSA-N
XLogP7.12
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.66
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-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

3-[[(2,4-Dimethylphenyl)-methoxyphosphoryl]amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid
CID 59481670
5-(3,3-Dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-(4-pyridin-3-yloxycyclohexyl)amino]thiophene-2-carboxylic acid
CID 50905297
5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(2S)-4-pyridin-3-yloxybutan-2-yl]amino]thiophene-2-carboxylic acid
CID 58113905
3-(1-Benzothiophen-3-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridine
CID 177377484
1-Methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one
CID 170785167
5-(4-Furo[3,2-b]pyridin-2-ylphenyl)-3-[2-methoxyethyl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]thiophene-2-carboxylic acid
CID 24945191
5-(4-Furo[3,2-b]pyridin-2-ylphenyl)-3-[tetrahydropyran-4-yl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]thiophene-2-carboxylic acid
CID 24945275
5-(2-Phenylfuro[3,2-b]pyridin-3-yl)-1-propylpyridin-2-one
CID 11255980
(RS)-1-[5-(4-Fluoro-phenyl)-2-methyl-thiazol-4-yl]-1-(2-furo [3,2-b]-pyridin-2-ylmethyl-piperidin-1-yl)methanone
CID 23146339
5-(4-Furo[3,2-b]pyridin-2-ylphenyl)-3-[propan-2-yl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]thiophene-2-carboxylic acid
CID 23628022
5-[4-([1,3]Oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-[propan-2-yl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]thiophene-2-carboxylic acid
CID 23628084
Formic acid;5-(4-furo[3,2-b]pyridin-2-ylphenyl)-3-[oxan-4-yl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]thiophene-2-carboxylic acid
CID 24945274

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid (CID 24945003) is 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid is CCOCCN(C(=O)C1CCC(C)CC1)c1cc(-c2ccc(-c3cc4ncccc4o3)cc2)sc1C(=O)O.
What is the InChIKey of 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid?
The InChIKey is BIVVMRWVJIYKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5S/c1-3-36-16-15-32(29(33)22-8-6-19(2)7-9-22)24-18-27(38-28(24)30(34)35)21-12-10-20(11-13-21)26-17-23-25(37-26)5-4-14-31-23/h4-5,10-14,17-19,22H,3,6-9,15-16H2,1-2H3,(H,34,35).
What are the key properties of 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid?
3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid has a molecular weight of 532.66 g/mol, XLogP of 7.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-furo[3,2-b]pyridin-2-ylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 24945003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).