(5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide

C23H26N3O7S- — CID 5160416

IUPAC(5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H27N3O7S/c1-5-30-19-13-16(14-20(31-6-2)22(19)32-7-3)23(27)24-17-8-10-18(11-9-17)34(28,29)26-21-12-15(4)33-25-21/h8-14H,5-7H2,1-4H3,(H2,24,25,26,27)/p-1
InChIKeyIVLFJTWLWPZQGC-UHFFFAOYSA-M
MW488.54 g/mol
LogP4.83
Rot. Bonds11

About (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide

(5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide (PubChem CID 5160416) has the molecular formula C23H26N3O7S- and a molecular weight of 488.54 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide
PubChem CID5160416
Molecular FormulaC23H26N3O7S-
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H27N3O7S/c1-5-30-19-13-16(14-20(31-6-2)22(19)32-7-3)23(27)24-17-8-10-18(11-9-17)34(28,29)26-21-12-15(4)33-25-21/h8-14H,5-7H2,1-4H3,(H2,24,25,26,27)/p-1
InChIKeyIVLFJTWLWPZQGC-UHFFFAOYSA-M
XLogP4.83
TPSA131.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
CID 4108465
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2115172
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190067
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3930366
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide (CID 5160416) is (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc(OCC)c1OCC.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide?
The InChIKey is IVLFJTWLWPZQGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H27N3O7S/c1-5-30-19-13-16(14-20(31-6-2)22(19)32-7-3)23(27)24-17-8-10-18(11-9-17)34(28,29)26-21-12-15(4)33-25-21/h8-14H,5-7H2,1-4H3,(H2,24,25,26,27)/p-1.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide?
(5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide has a molecular weight of 488.54 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide is sourced from PubChem (CID 5160416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).