2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide

C20H22N2O4S — CID 20935095

IUPAC2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H22N2O4S/c1-13(2)15-5-8-17(9-6-15)22-27(23,24)20-12-16(7-10-18(20)25-4)19-11-14(3)21-26-19/h5-13,22H,1-4H3
InChIKeySAUWZTXBBHENQR-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.58
Rot. Bonds6

About 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide

2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 20935095) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID20935095
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H22N2O4S/c1-13(2)15-5-8-17(9-6-15)22-27(23,24)20-12-16(7-10-18(20)25-4)19-11-14(3)21-26-19/h5-13,22H,1-4H3
InChIKeySAUWZTXBBHENQR-UHFFFAOYSA-N
XLogP4.58
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
CID 46335667
N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 46335665
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 110300252
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935126
2-ethyl-N-(4-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936343
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-(2-phenylpropyl)benzenesulfonamide
CID 53094821
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide (CID 20935095) is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is SAUWZTXBBHENQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13(2)15-5-8-17(9-6-15)22-27(23,24)20-12-16(7-10-18(20)25-4)19-11-14(3)21-26-19/h5-13,22H,1-4H3.
What are the key properties of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide?
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 4.58, 6 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-(4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 20935095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).