N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide

C24H31N3O4S — CID 67280370

About N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide

N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide (PubChem CID 67280370) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide
• PubChem CID: 67280370
• Molecular Formula: C24H31N3O4S
• Molecular Weight: 457.60 g/mol
• Exact Mass: 457.20
• IUPAC Name: N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide
• SMILES: COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(N2C=CCNC2=O)cc1C(C)(C)C
• InChI: InChI=1S/C24H31N3O4S/c1-24(2,3)21-16-20(27-14-6-13-25-23(27)28)15-18(22(21)31-4)10-7-17-8-11-19(12-9-17)26-32(5,29)30/h6,8-9,11-12,14-16,26H,7,10,13H2,1-5H3,(H,25,28)
• InChIKey: HUTNSFUMZLZWDD-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.60
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide?

The IUPAC name of N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide (CID 67280370) is N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide?

The canonical SMILES for N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide is COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(N2C=CCNC2=O)cc1C(C)(C)C.

What is the InChIKey of N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide?

The InChIKey is HUTNSFUMZLZWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-24(2,3)21-16-20(27-14-6-13-25-23(27)28)15-18(22(21)31-4)10-7-17-8-11-19(12-9-17)26-32(5,29)30/h6,8-9,11-12,14-16,26H,7,10,13H2,1-5H3,(H,25,28).

What are the key properties of N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide?

N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide has a molecular weight of 457.60 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,6-dihydropyrimidin-3-yl)phenyl]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 67280370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).