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

C17H18N2O5S — CID 110350561

IUPAC4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1C
InChIInChI=1S/C17H18N2O5S/c1-4-23-15-7-11(3)16(8-10(15)2)25(21,22)19-12-5-6-14-13(9-12)18-17(20)24-14/h5-9,19H,4H2,1-3H3,(H,18,20)
InChIKeyXUZSPYIXPFHDQG-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.94
Rot. Bonds5

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

4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide (PubChem CID 110350561) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
PubChem CID110350561
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1C
InChIInChI=1S/C17H18N2O5S/c1-4-23-15-7-11(3)16(8-10(15)2)25(21,22)19-12-5-6-14-13(9-12)18-17(20)24-14/h5-9,19H,4H2,1-3H3,(H,18,20)
InChIKeyXUZSPYIXPFHDQG-UHFFFAOYSA-N
XLogP2.94
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 47062828
N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110728969
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one
CID 110607935
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760726
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741465
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
CID 54877723
4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643747
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide
CID 61051650

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide (CID 110350561) is 4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide?
The InChIKey is XUZSPYIXPFHDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-4-23-15-7-11(3)16(8-10(15)2)25(21,22)19-12-5-6-14-13(9-12)18-17(20)24-14/h5-9,19H,4H2,1-3H3,(H,18,20).
What are the key properties of 4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide has a molecular weight of 362.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110350561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).