4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide

C18H20N2O5S — CID 110601952

IUPAC4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1C
InChIInChI=1S/C18H20N2O5S/c1-5-24-15-8-12(3)17(9-11(15)2)26(22,23)19-13-6-7-14-16(10-13)25-18(21)20(14)4/h6-10,19H,5H2,1-4H3
InChIKeyYTGAAKSZBHXPOM-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.95
Rot. Bonds5

About 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 110601952) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID110601952
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1C
InChIInChI=1S/C18H20N2O5S/c1-5-24-15-8-12(3)17(9-11(15)2)26(22,23)19-13-6-7-14-16(10-13)25-18(21)20(14)4/h6-10,19H,5H2,1-4H3
InChIKeyYTGAAKSZBHXPOM-UHFFFAOYSA-N
XLogP2.95
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 110350561
N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110728969
2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346422
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 70121145
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962051
N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 70122231
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one
CID 110608285
N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]phenyl]propanamide
CID 46346366
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 100536303

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 110601952) is 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is YTGAAKSZBHXPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-5-24-15-8-12(3)17(9-11(15)2)26(22,23)19-13-6-7-14-16(10-13)25-18(21)20(14)4/h6-10,19H,5H2,1-4H3.
What are the key properties of 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 110601952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).