2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide

C23H32FN5O4S — CID 24510804

IUPAC2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESCCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C23H32FN5O4S/c1-4-7-14-25-20-13-12-17(34(32,33)29(5-2)6-3)15-21(20)26-16-22(30)28-23(31)27-19-11-9-8-10-18(19)24/h8-13,15,25-26H,4-7,14,16H2,1-3H3,(H2,27,28,30,31)
InChIKeyNOCAMZMVXPZOJH-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.83
Rot. Bonds12

About 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide

2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide (PubChem CID 24510804) has the molecular formula C23H32FN5O4S and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide
PubChem CID24510804
Molecular FormulaC23H32FN5O4S
Molecular Weight493.61 g/mol
Exact Mass493.22
IUPAC Name2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESCCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C23H32FN5O4S/c1-4-7-14-25-20-13-12-17(34(32,33)29(5-2)6-3)15-21(20)26-16-22(30)28-23(31)27-19-11-9-8-10-18(19)24/h8-13,15,25-26H,4-7,14,16H2,1-3H3,(H2,27,28,30,31)
InChIKeyNOCAMZMVXPZOJH-UHFFFAOYSA-N
XLogP3.83
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(3-methylphenyl)acetamide
CID 26439552
ethyl 2-[[2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 3981713
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
N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 25332874
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 2985166
4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide
CID 24510878
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)benzoate
CID 2505819
N-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-5-chloro-2-fluorobenzamide
CID 25335972
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 24580769

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide (CID 24510804) is 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide is CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The InChIKey is NOCAMZMVXPZOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O4S/c1-4-7-14-25-20-13-12-17(34(32,33)29(5-2)6-3)15-21(20)26-16-22(30)28-23(31)27-19-11-9-8-10-18(19)24/h8-13,15,25-26H,4-7,14,16H2,1-3H3,(H2,27,28,30,31).
What are the key properties of 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide?
2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide has a molecular weight of 493.61 g/mol, XLogP of 3.83, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 24510804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).