N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide

C33H34N2O5S — CID 123361494

About N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide

N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 123361494) has the molecular formula C33H34N2O5S and a molecular weight of 570.71 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide
• PubChem CID: 123361494
• Molecular Formula: C33H34N2O5S
• Molecular Weight: 570.71 g/mol
• Exact Mass: 570.22
• IUPAC Name: N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide
• SMILES: Cc1noc(-c2ccc(-c3ccc(C4(C(=O)NS(=O)(=O)C5CC5)CC4)cc3)cc2)c1CCCC(O)c1ccccc1
• InChI: InChI=1S/C33H34N2O5S/c1-22-29(8-5-9-30(36)25-6-3-2-4-7-25)31(40-34-22)26-12-10-23(11-13-26)24-14-16-27(17-15-24)33(20-21-33)32(37)35-41(38,39)28-18-19-28/h2-4,6-7,10-17,28,30,36H,5,8-9,18-21H2,1H3,(H,35,37)
• InChIKey: SXJFWVXQDQYRNX-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 109.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.71
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide?

The IUPAC name of N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide (CID 123361494) is N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide is Cc1noc(-c2ccc(-c3ccc(C4(C(=O)NS(=O)(=O)C5CC5)CC4)cc3)cc2)c1CCCC(O)c1ccccc1.

What is the InChIKey of N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide?

The InChIKey is SXJFWVXQDQYRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O5S/c1-22-29(8-5-9-30(36)25-6-3-2-4-7-25)31(40-34-22)26-12-10-23(11-13-26)24-14-16-27(17-15-24)33(20-21-33)32(37)35-41(38,39)28-18-19-28/h2-4,6-7,10-17,28,30,36H,5,8-9,18-21H2,1H3,(H,35,37).

What are the key properties of N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide?

N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 570.71 g/mol, XLogP of 6.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropylsulfonyl-1-[4-[4-[4-(4-hydroxy-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123361494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).