N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

C17H24N2O4S — CID 126802730

IUPACN-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCCOCC(C)(C)CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C17H24N2O4S/c1-5-22-12-17(3,4)11-18-24(20,21)15-8-6-14(7-9-15)16-10-23-13(2)19-16/h6-10,18H,5,11-12H2,1-4H3
InChIKeyKNOXGFPNFRHATI-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.99
Rot. Bonds8

About N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 126802730) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID126802730
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCCOCC(C)(C)CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C17H24N2O4S/c1-5-22-12-17(3,4)11-18-24(20,21)15-8-6-14(7-9-15)16-10-23-13(2)19-16/h6-10,18H,5,11-12H2,1-4H3
InChIKeyKNOXGFPNFRHATI-UHFFFAOYSA-N
XLogP2.99
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583158
N-[2-(cycloheptylamino)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 119987178
N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583148
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122354167
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583083
4-(2-methyl-1,3-oxazol-4-yl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122289276
N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583135
4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724946
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122298122
N-(3-chloro-2-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583093
N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583105
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 91624416

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 126802730) is N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is CCOCC(C)(C)CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is KNOXGFPNFRHATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-5-22-12-17(3,4)11-18-24(20,21)15-8-6-14(7-9-15)16-10-23-13(2)19-16/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 126802730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).