N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide

C24H22N2O4S — CID 25041851

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCOc1cccc([C@@H](C)NS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1
InChIInChI=1S/C24H22N2O4S/c1-17(20-14-9-15-21(16-20)29-2)26-31(27,28)24-22(18-10-5-3-6-11-18)30-23(25-24)19-12-7-4-8-13-19/h3-17,26H,1-2H3/t17-/m1/s1
InChIKeyXPOFIDKXMXQNFE-QGZVFWFLSA-N
MW434.52 g/mol
LogP5.06
Rot. Bonds7

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 25041851) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID25041851
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCOc1cccc([C@@H](C)NS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1
InChIInChI=1S/C24H22N2O4S/c1-17(20-14-9-15-21(16-20)29-2)26-31(27,28)24-22(18-10-5-3-6-11-18)30-23(25-24)19-12-7-4-8-13-19/h3-17,26H,1-2H3/t17-/m1/s1
InChIKeyXPOFIDKXMXQNFE-QGZVFWFLSA-N
XLogP5.06
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 4254221
N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3702958
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691931
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 25041851) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide is COc1cccc([C@@H](C)NS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is XPOFIDKXMXQNFE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-17(20-14-9-15-21(16-20)29-2)26-31(27,28)24-22(18-10-5-3-6-11-18)30-23(25-24)19-12-7-4-8-13-19/h3-17,26H,1-2H3/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 434.52 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 25041851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).