4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide

C17H27NO5S — CID 162202793

IUPAC4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide
SMILESCC(C)(C)OCCOCCC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H27NO5S/c1-17(2,3)23-13-12-22-11-10-15(19)7-4-14-5-8-16(9-6-14)24(18,20)21/h5-6,8-9H,4,7,10-13H2,1-3H3,(H2,18,20,21)
InChIKeyZRUNUGMCLGFOHI-UHFFFAOYSA-N
MW357.47 g/mol
LogP2.06
Rot. Bonds10

About 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide

4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide (PubChem CID 162202793) has the molecular formula C17H27NO5S and a molecular weight of 357.47 g/mol. Its IUPAC name is 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide
PubChem CID162202793
Molecular FormulaC17H27NO5S
Molecular Weight357.47 g/mol
Exact Mass357.16
IUPAC Name4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide
SMILESCC(C)(C)OCCOCCC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H27NO5S/c1-17(2,3)23-13-12-22-11-10-15(19)7-4-14-5-8-16(9-6-14)24(18,20)21/h5-6,8-9H,4,7,10-13H2,1-3H3,(H2,18,20,21)
InChIKeyZRUNUGMCLGFOHI-UHFFFAOYSA-N
XLogP2.06
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide
CID 59408690
3-[4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]phenyl]propanoic acid
CID 115942990
butyl 3-(4-sulfamoylphenyl)propanoate
CID 35588023
2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate
CID 103714875
N-(1-methoxy-2-methylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 115606628
3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 121286188
4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
CID 112587191
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
4-(4-sulfamoylphenyl)butanamide
CID 145476026
N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide?
The IUPAC name of 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide (CID 162202793) is 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide?
The canonical SMILES for 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide is CC(C)(C)OCCOCCC(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide?
The InChIKey is ZRUNUGMCLGFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5S/c1-17(2,3)23-13-12-22-11-10-15(19)7-4-14-5-8-16(9-6-14)24(18,20)21/h5-6,8-9H,4,7,10-13H2,1-3H3,(H2,18,20,21).
What are the key properties of 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide?
4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide has a molecular weight of 357.47 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide is sourced from PubChem (CID 162202793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).