4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide

C19H24N2O5S — CID 9219667

IUPAC4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-4-5-12-26-17-11-6-14(13-18(17)25-3)19(22)21-15-7-9-16(10-8-15)27(23,24)20-2/h6-11,13,20H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyMNAXPWDLLXCANW-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.03
Rot. Bonds9

About 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide

4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide (PubChem CID 9219667) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
PubChem CID9219667
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-4-5-12-26-17-11-6-14(13-18(17)25-3)19(22)21-15-7-9-16(10-8-15)27(23,24)20-2/h6-11,13,20H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyMNAXPWDLLXCANW-UHFFFAOYSA-N
XLogP3.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.03
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

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CID 4883352
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9071230
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide (CID 9219667) is 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is MNAXPWDLLXCANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-5-12-26-17-11-6-14(13-18(17)25-3)19(22)21-15-7-9-16(10-8-15)27(23,24)20-2/h6-11,13,20H,4-5,12H2,1-3H3,(H,21,22).
What are the key properties of 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 9219667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).