N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C22H20N2O6S — CID 30713533

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCOc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C22H20N2O6S/c1-3-28-15-8-10-16(11-9-15)29-20-7-5-4-6-18(20)23-31(26,27)17-12-13-19-21(14-17)30-22(25)24(19)2/h4-14,23H,3H2,1-2H3
InChIKeyUCULKAODQHWEFI-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.12
Rot. Bonds7

About N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 30713533) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID30713533
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCOc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C22H20N2O6S/c1-3-28-15-8-10-16(11-9-15)29-20-7-5-4-6-18(20)23-31(26,27)17-12-13-19-21(14-17)30-22(25)24(19)2/h4-14,23H,3H2,1-2H3
InChIKeyUCULKAODQHWEFI-UHFFFAOYSA-N
XLogP4.12
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 55559647
N-[2-(4-ethoxyphenoxy)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 17460804
N-[2-(4-ethoxyphenoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 7938368
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-[2-(4-ethoxyphenoxy)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197732
3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55729737
N-[5-[[2-(4-ethoxyphenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 17426332
N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide
CID 50793045
3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
CID 110727203
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 43053212
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 30713533) is N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is UCULKAODQHWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-3-28-15-8-10-16(11-9-15)29-20-7-5-4-6-18(20)23-31(26,27)17-12-13-19-21(14-17)30-22(25)24(19)2/h4-14,23H,3H2,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 440.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 30713533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).