N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide

C30H35N3O4S — CID 10143360

About N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide

N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide (PubChem CID 10143360) has the molecular formula C30H35N3O4S and a molecular weight of 533.69 g/mol. Its IUPAC name is N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide.

Molecular Properties

• Compound Name: N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide
• PubChem CID: 10143360
• Molecular Formula: C30H35N3O4S
• Molecular Weight: 533.69 g/mol
• Exact Mass: 533.23
• IUPAC Name: N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide
• SMILES: CCCCS(=O)(=O)NC(=O)C(Cc1ccc(CCCc2nc(-c3ccccc3)oc2C)cc1)n1cccc1
• InChI: InChI=1S/C30H35N3O4S/c1-3-4-21-38(35,36)32-29(34)28(33-19-8-9-20-33)22-25-17-15-24(16-18-25)11-10-14-27-23(2)37-30(31-27)26-12-6-5-7-13-26/h5-9,12-13,15-20,28H,3-4,10-11,14,21-22H2,1-2H3,(H,32,34)
• InChIKey: CUKIKVVWSUCNOM-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 94.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.69
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide?

The IUPAC name of N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide (CID 10143360) is N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide.

What is the SMILES notation for N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide?

The canonical SMILES for N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide is CCCCS(=O)(=O)NC(=O)C(Cc1ccc(CCCc2nc(-c3ccccc3)oc2C)cc1)n1cccc1.

What is the InChIKey of N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide?

The InChIKey is CUKIKVVWSUCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4S/c1-3-4-21-38(35,36)32-29(34)28(33-19-8-9-20-33)22-25-17-15-24(16-18-25)11-10-14-27-23(2)37-30(31-27)26-12-6-5-7-13-26/h5-9,12-13,15-20,28H,3-4,10-11,14,21-22H2,1-2H3,(H,32,34).

What are the key properties of N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide?

N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide has a molecular weight of 533.69 g/mol, XLogP of 5.66, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-butylsulfonyl-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 10143360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).