2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide

C23H34N4O3S — CID 26439552

IUPAC2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide
SMILESCCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C23H34N4O3S/c1-5-8-14-24-21-13-12-20(31(29,30)27(6-2)7-3)16-22(21)25-17-23(28)26-19-11-9-10-18(4)15-19/h9-13,15-16,24-25H,5-8,14,17H2,1-4H3,(H,26,28)
InChIKeyZPRPPJYPOORGJL-UHFFFAOYSA-N
MW446.62 g/mol
LogP4.29
Rot. Bonds12

About 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide

2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide (PubChem CID 26439552) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide
PubChem CID26439552
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC Name2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide
SMILESCCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C23H34N4O3S/c1-5-8-14-24-21-13-12-20(31(29,30)27(6-2)7-3)16-22(21)25-17-23(28)26-19-11-9-10-18(4)15-19/h9-13,15-16,24-25H,5-8,14,17H2,1-4H3,(H,26,28)
InChIKeyZPRPPJYPOORGJL-UHFFFAOYSA-N
XLogP4.29
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 24510804
ethyl 2-[[2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 3981713
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770
4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide
CID 24510878
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 45372341
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 25332874
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
2-(3-chloro-2-methylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9099238

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide (CID 26439552) is 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide is CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide?
The InChIKey is ZPRPPJYPOORGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-5-8-14-24-21-13-12-20(31(29,30)27(6-2)7-3)16-22(21)25-17-23(28)26-19-11-9-10-18(4)15-19/h9-13,15-16,24-25H,5-8,14,17H2,1-4H3,(H,26,28).
What are the key properties of 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide?
2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide has a molecular weight of 446.62 g/mol, XLogP of 4.29, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 26439552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).