(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide

C22H31N3O7S2 — CID 100634284

About (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide

(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide (PubChem CID 100634284) has the molecular formula C22H31N3O7S2 and a molecular weight of 513.64 g/mol. Its IUPAC name is (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
• PubChem CID: 100634284
• Molecular Formula: C22H31N3O7S2
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.16
• IUPAC Name: (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
• SMILES: CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC
• InChI: InChI=1S/C22H31N3O7S2/c1-7-20(32-17-10-8-16(9-11-17)25(4)33(6,27)28)22(26)23-19-14-18(12-13-21(19)31-5)34(29,30)24-15(2)3/h8-15,20,24H,7H2,1-6H3,(H,23,26)/t20-/m1/s1
• InChIKey: UZGAMGBDEFLJPE-HXUWFJFHSA-N
• XLogP: 2.57
• TPSA: 131.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?

The IUPAC name of (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide (CID 100634284) is (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide.

What is the SMILES notation for (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?

The canonical SMILES for (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide is CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC.

What is the InChIKey of (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?

The InChIKey is UZGAMGBDEFLJPE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H31N3O7S2/c1-7-20(32-17-10-8-16(9-11-17)25(4)33(6,27)28)22(26)23-19-14-18(12-13-21(19)31-5)34(29,30)24-15(2)3/h8-15,20,24H,7H2,1-6H3,(H,23,26)/t20-/m1/s1.

What are the key properties of (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?

(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide has a molecular weight of 513.64 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide is sourced from PubChem (CID 100634284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).