N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide

C26H32F2N2O4S2 — CID 66627354

About N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide

N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide (PubChem CID 66627354) has the molecular formula C26H32F2N2O4S2 and a molecular weight of 538.68 g/mol. Its IUPAC name is N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide
• PubChem CID: 66627354
• Molecular Formula: C26H32F2N2O4S2
• Molecular Weight: 538.68 g/mol
• Exact Mass: 538.18
• IUPAC Name: N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide
• SMILES: CS(=O)(=O)c1ccc(C(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4F)CC3)CC2)s1
• InChI: InChI=1S/C26H32F2N2O4S2/c1-36(33,34)24-9-8-23(35-24)26(32)29-20-5-2-17(3-6-20)10-13-30-14-11-18(12-15-30)25(31)21-7-4-19(27)16-22(21)28/h4,7-9,16-18,20H,2-3,5-6,10-15H2,1H3,(H,29,32)
• InChIKey: GOCAZBAMIQGHQU-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.68
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide?

The IUPAC name of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide (CID 66627354) is N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide is CS(=O)(=O)c1ccc(C(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4F)CC3)CC2)s1.

What is the InChIKey of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide?

The InChIKey is GOCAZBAMIQGHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N2O4S2/c1-36(33,34)24-9-8-23(35-24)26(32)29-20-5-2-17(3-6-20)10-13-30-14-11-18(12-15-30)25(31)21-7-4-19(27)16-22(21)28/h4,7-9,16-18,20H,2-3,5-6,10-15H2,1H3,(H,29,32).

What are the key properties of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide?

N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide has a molecular weight of 538.68 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 66627354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).