3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H23N3O4S — CID 71830210

IUPAC3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)c1c(C=CN(C)C)noc1C
InChIInChI=1S/C17H23N3O4S/c1-6-23-16-10-8-7-9-15(16)20(5)25(21,22)17-13(2)24-18-14(17)11-12-19(3)4/h7-12H,6H2,1-5H3
InChIKeyNIQQTIWNKFDECR-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.74
Rot. Bonds7

About 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide

3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 71830210) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID71830210
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)c1c(C=CN(C)C)noc1C
InChIInChI=1S/C17H23N3O4S/c1-6-23-16-10-8-7-9-15(16)20(5)25(21,22)17-13(2)24-18-14(17)11-12-19(3)4/h7-12H,6H2,1-5H3
InChIKeyNIQQTIWNKFDECR-UHFFFAOYSA-N
XLogP2.74
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide
CID 28793949
N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide
CID 99717909
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 155244783
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 108572427
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070587
N-(2,6-dimethylphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095191
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50893439
2,3-diethoxy-N,N-dimethylaniline
CID 150665262

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 71830210) is 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide is CCOc1ccccc1N(C)S(=O)(=O)c1c(C=CN(C)C)noc1C.
What is the InChIKey of 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is NIQQTIWNKFDECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-6-23-16-10-8-7-9-15(16)20(5)25(21,22)17-13(2)24-18-14(17)11-12-19(3)4/h7-12H,6H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71830210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).