N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C18H20N2O5S — CID 39919060

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H20N2O5S/c1-18(2,3)11-5-8-15(24-4)14(9-11)20-26(22,23)12-6-7-13-16(10-12)25-17(21)19-13/h5-10,20H,1-4H3,(H,19,21)
InChIKeyXLSREKOTQBDLTH-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.23
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 39919060) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID39919060
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H20N2O5S/c1-18(2,3)11-5-8-15(24-4)14(9-11)20-26(22,23)12-6-7-13-16(10-12)25-17(21)19-13/h5-10,20H,1-4H3,(H,19,21)
InChIKeyXLSREKOTQBDLTH-UHFFFAOYSA-N
XLogP3.23
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110362086
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676977
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797
N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
CID 2106216
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648159
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110778576
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 134055659
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 94109831

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 39919060) is N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is XLSREKOTQBDLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-18(2,3)11-5-8-15(24-4)14(9-11)20-26(22,23)12-6-7-13-16(10-12)25-17(21)19-13/h5-10,20H,1-4H3,(H,19,21).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 376.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 39919060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).