N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide

C19H22N2O4S — CID 84563760

IUPACN-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc3nc(C(C)C)oc3c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-12(2)19-20-17-10-5-14(11-18(17)25-19)21-26(22,23)16-8-6-15(7-9-16)24-13(3)4/h5-13,21H,1-4H3
InChIKeyZUPATWYBGWRBET-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.54
Rot. Bonds6

About N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide

N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 84563760) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID84563760
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc3nc(C(C)C)oc3c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-12(2)19-20-17-10-5-14(11-18(17)25-19)21-26(22,23)16-8-6-15(7-9-16)24-13(3)4/h5-13,21H,1-4H3
InChIKeyZUPATWYBGWRBET-UHFFFAOYSA-N
XLogP4.54
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84562589
3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563223
2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563253
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 110760591
4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401839
N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110726232
4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
CID 110730295
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112990448
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide (CID 84563760) is N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3nc(C(C)C)oc3c2)cc1.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is ZUPATWYBGWRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12(2)19-20-17-10-5-14(11-18(17)25-19)21-26(22,23)16-8-6-15(7-9-16)24-13(3)4/h5-13,21H,1-4H3.
What are the key properties of N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide?
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 84563760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).