4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide

C23H32N2O6S — CID 108759094

IUPAC4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1OCC
InChIInChI=1S/C23H32N2O6S/c1-4-6-14-31-21-12-9-19(16-22(21)30-5-2)23(26)24-17-18-7-10-20(11-8-18)32(27,28)25-13-15-29-3/h7-12,16,25H,4-6,13-15,17H2,1-3H3,(H,24,26)
InChIKeyABDSUUAUJONVGI-UHFFFAOYSA-N
MW464.58 g/mol
LogP3.12
Rot. Bonds14

About 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide

4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 108759094) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
PubChem CID108759094
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC Name4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1OCC
InChIInChI=1S/C23H32N2O6S/c1-4-6-14-31-21-12-9-19(16-22(21)30-5-2)23(26)24-17-18-7-10-20(11-8-18)32(27,28)25-13-15-29-3/h7-12,16,25H,4-6,13-15,17H2,1-3H3,(H,24,26)
InChIKeyABDSUUAUJONVGI-UHFFFAOYSA-N
XLogP3.12
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759021
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
CID 55812224
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
CID 2976044
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide (CID 108759094) is 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide is CCCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1OCC.
What is the InChIKey of 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is ABDSUUAUJONVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-4-6-14-31-21-12-9-19(16-22(21)30-5-2)23(26)24-17-18-7-10-20(11-8-18)32(27,28)25-13-15-29-3/h7-12,16,25H,4-6,13-15,17H2,1-3H3,(H,24,26).
What are the key properties of 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 464.58 g/mol, XLogP of 3.12, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 108759094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).