N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide

C25H32N2O4S — CID 98402973

About N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide

N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide (PubChem CID 98402973) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
• PubChem CID: 98402973
• Molecular Formula: C25H32N2O4S
• Molecular Weight: 456.61 g/mol
• Exact Mass: 456.21
• IUPAC Name: N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1
• InChI: InChI=1S/C25H32N2O4S/c1-16(2)31-22-10-6-19(7-11-22)25(28)26-21-8-12-23(13-9-21)32(29,30)27-17(3)24-15-18-4-5-20(24)14-18/h6-13,16-18,20,24,27H,4-5,14-15H2,1-3H3,(H,26,28)/t17-,18-,20-,24+/m1/s1
• InChIKey: ATNOIQXAAAXLAK-RTCJPFEHSA-N
• XLogP: 4.83
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.61
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?

The IUPAC name of N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide (CID 98402973) is N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?

The canonical SMILES for N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1.

What is the InChIKey of N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?

The InChIKey is ATNOIQXAAAXLAK-RTCJPFEHSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-16(2)31-22-10-6-19(7-11-22)25(28)26-21-8-12-23(13-9-21)32(29,30)27-17(3)24-15-18-4-5-20(24)14-18/h6-13,16-18,20,24,27H,4-5,14-15H2,1-3H3,(H,26,28)/t17-,18-,20-,24+/m1/s1.

What are the key properties of N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide?

N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 456.61 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 98402973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).