N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide

C25H26N2O3S — CID 42785202

About N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide

N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 42785202) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide
• PubChem CID: 42785202
• Molecular Formula: C25H26N2O3S
• Molecular Weight: 434.56 g/mol
• Exact Mass: 434.17
• IUPAC Name: N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide
• SMILES: O=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCCCC2)C3)c1)c1cccs1
• InChI: InChI=1S/C25H26N2O3S/c28-24(23-10-5-13-31-23)26-20-9-4-8-18(14-20)22-15-19-16-27(12-11-21(19)30-22)25(29)17-6-2-1-3-7-17/h4-5,8-10,13-15,17H,1-3,6-7,11-12,16H2,(H,26,28)
• InChIKey: ODSUZJRTDCVBGZ-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.56
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide (CID 42785202) is N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCCCC2)C3)c1)c1cccs1.

What is the InChIKey of N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide?

The InChIKey is ODSUZJRTDCVBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-24(23-10-5-13-31-23)26-20-9-4-8-18(14-20)22-15-19-16-27(12-11-21(19)30-22)25(29)17-6-2-1-3-7-17/h4-5,8-10,13-15,17H,1-3,6-7,11-12,16H2,(H,26,28).

What are the key properties of N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide?

N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 42785202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).