N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

C25H27N3O5S — CID 5307701

IUPACN-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C25H27N3O5S/c1-18-25(19(2)33-26-18)34(30,31)28(22-9-11-23(32-3)12-10-22)17-24(29)27-15-13-21(14-16-27)20-7-5-4-6-8-20/h4-13H,14-17H2,1-3H3
InChIKeyPCZVRNIDDAUQIX-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.81
Rot. Bonds7

About N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 5307701) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID5307701
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C25H27N3O5S/c1-18-25(19(2)33-26-18)34(30,31)28(22-9-11-23(32-3)12-10-22)17-24(29)27-15-13-21(14-16-27)20-7-5-4-6-8-20/h4-13H,14-17H2,1-3H3
InChIKeyPCZVRNIDDAUQIX-UHFFFAOYSA-N
XLogP3.81
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 5307701) is N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is COc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is PCZVRNIDDAUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18-25(19(2)33-26-18)34(30,31)28(22-9-11-23(32-3)12-10-22)17-24(29)27-15-13-21(14-16-27)20-7-5-4-6-8-20/h4-13H,14-17H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 481.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 5307701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).