4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide

C21H28N2O5S — CID 9141581

IUPAC4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1OCC
InChIInChI=1S/C21H28N2O5S/c1-5-7-10-28-19-9-8-16(12-20(19)27-6-2)21(24)23-18-13-17(29(22,25)26)11-14(3)15(18)4/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,24)(H2,22,25,26)
InChIKeyZECAFBXUCKSFDD-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.78
Rot. Bonds9

About 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide

4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide (PubChem CID 9141581) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide
PubChem CID9141581
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1OCC
InChIInChI=1S/C21H28N2O5S/c1-5-7-10-28-19-9-8-16(12-20(19)27-6-2)21(24)23-18-13-17(29(22,25)26)11-14(3)15(18)4/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,24)(H2,22,25,26)
InChIKeyZECAFBXUCKSFDD-UHFFFAOYSA-N
XLogP3.78
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.78
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

methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55791528
3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753995
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9257612
1-butyl-3-(2,3-dimethyl-5-sulfamoylphenyl)urea
CID 60654305
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
CID 26011119
N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9141418

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide?
The IUPAC name of 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide (CID 9141581) is 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide.
What is the SMILES notation for 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide?
The canonical SMILES for 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide is CCCCOc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1OCC.
What is the InChIKey of 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide?
The InChIKey is ZECAFBXUCKSFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-7-10-28-19-9-8-16(12-20(19)27-6-2)21(24)23-18-13-17(29(22,25)26)11-14(3)15(18)4/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,24)(H2,22,25,26).
What are the key properties of 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide?
4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide has a molecular weight of 420.53 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide is sourced from PubChem (CID 9141581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).