4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide

C12H18N2O5S — CID 47245842

IUPAC4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
SMILESCOCCCC(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O5S/c1-18-7-3-4-12(15)14-9-5-6-10(19-2)11(8-9)20(13,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeySSWANEFIBPAUEJ-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.71
Rot. Bonds7

About 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide

4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide (PubChem CID 47245842) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
PubChem CID47245842
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
SMILESCOCCCC(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O5S/c1-18-7-3-4-12(15)14-9-5-6-10(19-2)11(8-9)20(13,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeySSWANEFIBPAUEJ-UHFFFAOYSA-N
XLogP0.71
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.71
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

4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 55788529
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 9428553
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
5-(heptanoylamino)-2-methoxybenzenesulfonyl chloride
CID 114752088
3,5-dichloro-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 26929610
3-(methoxymethyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 9378793
N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 112733236
N-(4-methoxy-3-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 61068916
2-(2-tert-butylphenoxy)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 26782054
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
CID 119331495
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
5-acetyl-N-(4-methoxy-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 9088476

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide?
The IUPAC name of 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide (CID 47245842) is 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide?
The canonical SMILES for 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide is COCCCC(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide?
The InChIKey is SSWANEFIBPAUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-18-7-3-4-12(15)14-9-5-6-10(19-2)11(8-9)20(13,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide?
4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide has a molecular weight of 302.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 47245842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).