2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

C21H22N2O4S — CID 20935126

IUPAC2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C21H22N2O4S/c1-14-12-20(27-22-14)16-10-11-19(26-2)21(13-16)28(24,25)23-18-9-5-7-15-6-3-4-8-17(15)18/h5,7,9-13,23H,3-4,6,8H2,1-2H3
InChIKeyZQYBVCXWUUGVNO-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.34
Rot. Bonds5

About 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 20935126) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID20935126
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C21H22N2O4S/c1-14-12-20(27-22-14)16-10-11-19(26-2)21(13-16)28(24,25)23-18-9-5-7-15-6-3-4-8-17(15)18/h5,7,9-13,23H,3-4,6,8H2,1-2H3
InChIKeyZQYBVCXWUUGVNO-UHFFFAOYSA-N
XLogP4.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917438
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107
N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53095046
N-(3-chloro-2-methylphenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094799
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935556
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
N-(3-chloro-2-methylphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094995
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988
N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936121
ethyl 5-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941007
N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094791

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 20935126) is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is ZQYBVCXWUUGVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14-12-20(27-22-14)16-10-11-19(26-2)21(13-16)28(24,25)23-18-9-5-7-15-6-3-4-8-17(15)18/h5,7,9-13,23H,3-4,6,8H2,1-2H3.
What are the key properties of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 20935126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).