N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide

C20H22N2O4S — CID 10620185

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H22N2O4S/c1-13(2)25-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-26-20/h5-13,22H,1-4H3
InChIKeyDYLKKVMDOFKPBE-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.55
Rot. Bonds6

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide (PubChem CID 10620185) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide
PubChem CID10620185
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H22N2O4S/c1-13(2)25-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-26-20/h5-13,22H,1-4H3
InChIKeyDYLKKVMDOFKPBE-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
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-(4-propan-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide (CID 10620185) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OC(C)C)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is DYLKKVMDOFKPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13(2)25-17-11-9-16(10-12-17)18-7-5-6-8-19(18)27(23,24)22-20-14(3)15(4)21-26-20/h5-13,22H,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 4.55, 6 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-(4-propan-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10620185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).