4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide

C22H30N2O4S — CID 18205717

IUPAC4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-8-15-28-20-13-10-18(11-14-20)22(25)23-19-12-9-17(4)21(16-19)29(26,27)24(6-2)7-3/h9-14,16H,5-8,15H2,1-4H3,(H,23,25)
InChIKeyNGBXVYNGPKHPCR-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.46
Rot. Bonds10

About 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide

4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide (PubChem CID 18205717) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
PubChem CID18205717
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-8-15-28-20-13-10-18(11-14-20)22(25)23-19-12-9-17(4)21(16-19)29(26,27)24(6-2)7-3/h9-14,16H,5-8,15H2,1-4H3,(H,23,25)
InChIKeyNGBXVYNGPKHPCR-UHFFFAOYSA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide
CID 9101706
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
CID 55705690
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55752933
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide (CID 18205717) is 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1.
What is the InChIKey of 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide?
The InChIKey is NGBXVYNGPKHPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-8-15-28-20-13-10-18(11-14-20)22(25)23-19-12-9-17(4)21(16-19)29(26,27)24(6-2)7-3/h9-14,16H,5-8,15H2,1-4H3,(H,23,25).
What are the key properties of 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide?
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 18205717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).