3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide

C15H24N2O5S — CID 59408690

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C)(C)OCCOCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)22-11-10-21-9-8-14(18)17-12-4-6-13(7-5-12)23(16,19)20/h4-7H,8-11H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyPKLRJCOHAFGCRE-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.49
Rot. Bonds8

About 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide

3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 59408690) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide
PubChem CID59408690
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C)(C)OCCOCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)22-11-10-21-9-8-14(18)17-12-4-6-13(7-5-12)23(16,19)20/h4-7H,8-11H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyPKLRJCOHAFGCRE-UHFFFAOYSA-N
XLogP1.49
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 115942045
4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide
CID 162202793
3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide
CID 103208726
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
CID 118707459
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
N-[3-oxo-3-[4-[4-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]benzoyl]anilino]propyl]-4-sulfamoylbenzamide
CID 126962006
1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
CID 108894310
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide (CID 59408690) is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide is CC(C)(C)OCCOCCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is PKLRJCOHAFGCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-15(2,3)22-11-10-21-9-8-14(18)17-12-4-6-13(7-5-12)23(16,19)20/h4-7H,8-11H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide?
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 344.43 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 59408690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).