N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

C24H28N4O5S — CID 5307355

IUPACN-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C24H28N4O5S/c1-18-24(19(2)33-25-18)34(30,31)28(21-9-11-22(32-3)12-10-21)17-23(29)27-15-13-26(14-16-27)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3
InChIKeyKZTSOWJWAJLEJA-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.84
Rot. Bonds7

About N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 5307355) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID5307355
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C24H28N4O5S/c1-18-24(19(2)33-25-18)34(30,31)28(21-9-11-22(32-3)12-10-21)17-23(29)27-15-13-26(14-16-27)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3
InChIKeyKZTSOWJWAJLEJA-UHFFFAOYSA-N
XLogP2.84
TPSA96.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 5307355) is N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-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-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is COc1ccc(N(CC(=O)N2CCN(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-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is KZTSOWJWAJLEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-18-24(19(2)33-25-18)34(30,31)28(21-9-11-22(32-3)12-10-21)17-23(29)27-15-13-26(14-16-27)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 484.58 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 5307355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).