N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide

C21H24N2O4S — CID 42823025

IUPACN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCOc1cccc(-c2cc(CN(C(C)C)S(=O)(=O)c3ccc(C)cc3)no2)c1
InChIInChI=1S/C21H24N2O4S/c1-15(2)23(28(24,25)20-10-8-16(3)9-11-20)14-18-13-21(27-22-18)17-6-5-7-19(12-17)26-4/h5-13,15H,14H2,1-4H3
InChIKeyFTNJTEQDZJLEJP-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.26
Rot. Bonds7

About N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 42823025) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID42823025
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCOc1cccc(-c2cc(CN(C(C)C)S(=O)(=O)c3ccc(C)cc3)no2)c1
InChIInChI=1S/C21H24N2O4S/c1-15(2)23(28(24,25)20-10-8-16(3)9-11-20)14-18-13-21(27-22-18)17-6-5-7-19(12-17)26-4/h5-13,15H,14H2,1-4H3
InChIKeyFTNJTEQDZJLEJP-UHFFFAOYSA-N
XLogP4.26
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
CID 42823019
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165481100
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea
CID 46111707
2-fluoro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46111583
2-(4-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylacetamide
CID 46111582
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea
CID 46111712
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 46009805
N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 51070384

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide (CID 42823025) is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide is COc1cccc(-c2cc(CN(C(C)C)S(=O)(=O)c3ccc(C)cc3)no2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is FTNJTEQDZJLEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-15(2)23(28(24,25)20-10-8-16(3)9-11-20)14-18-13-21(27-22-18)17-6-5-7-19(12-17)26-4/h5-13,15H,14H2,1-4H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide?
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 42823025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).