N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide

C22H26N2O4S — CID 10597897

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCOc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C22H26N2O4S/c1-14(2)12-17-10-11-18(20(13-17)27-5)19-8-6-7-9-21(19)29(25,26)24-22-15(3)16(4)23-28-22/h6-11,13-14,24H,12H2,1-5H3
InChIKeyCEQZTVDVWMGLDZ-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.97
Rot. Bonds7

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10597897) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10597897
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCOc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C22H26N2O4S/c1-14(2)12-17-10-11-18(20(13-17)27-5)19-8-6-7-9-21(19)29(25,26)24-22-15(3)16(4)23-28-22/h6-11,13-14,24H,12H2,1-5H3
InChIKeyCEQZTVDVWMGLDZ-UHFFFAOYSA-N
XLogP4.97
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10597897) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide is COc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is CEQZTVDVWMGLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-14(2)12-17-10-11-18(20(13-17)27-5)19-8-6-7-9-21(19)29(25,26)24-22-15(3)16(4)23-28-22/h6-11,13-14,24H,12H2,1-5H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-methoxy-4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10597897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).