(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide

C29H33N3O5S — CID 98399133

About (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 98399133) has the molecular formula C29H33N3O5S and a molecular weight of 535.67 g/mol. Its IUPAC name is (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 98399133
• Molecular Formula: C29H33N3O5S
• Molecular Weight: 535.67 g/mol
• Exact Mass: 535.21
• IUPAC Name: (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1=O
• InChI: InChI=1S/C29H33N3O5S/c1-5-19(2)25-8-6-7-9-26(25)32-18-21(16-28(32)33)29(34)30-23-11-10-20(3)27(17-23)38(35,36)31-22-12-14-24(37-4)15-13-22/h6-15,17,19,21,31H,5,16,18H2,1-4H3,(H,30,34)/t19-,21-/m1/s1
• InChIKey: XXJSWLQYYDKYLS-TZIWHRDSSA-N
• XLogP: 5.31
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.67
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 98399133) is (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide is CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1=O.

What is the InChIKey of (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is XXJSWLQYYDKYLS-TZIWHRDSSA-N. The full InChI is InChI=1S/C29H33N3O5S/c1-5-19(2)25-8-6-7-9-26(25)32-18-21(16-28(32)33)29(34)30-23-11-10-20(3)27(17-23)38(35,36)31-22-12-14-24(37-4)15-13-22/h6-15,17,19,21,31H,5,16,18H2,1-4H3,(H,30,34)/t19-,21-/m1/s1.

What are the key properties of (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide?

(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 535.67 g/mol, XLogP of 5.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 98399133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).