2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide

C18H23FN4O3S — CID 4884487

IUPAC2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1F
InChIInChI=1S/C18H23FN4O3S/c1-4-20-16-10-9-13(27(25,26)23(2)3)11-17(16)21-12-18(24)22-15-8-6-5-7-14(15)19/h5-11,20-21H,4,12H2,1-3H3,(H,22,24)
InChIKeySYYZIXQKTAXVBP-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.56
Rot. Bonds8

About 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide (PubChem CID 4884487) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide
PubChem CID4884487
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1F
InChIInChI=1S/C18H23FN4O3S/c1-4-20-16-10-9-13(27(25,26)23(2)3)11-17(16)21-12-18(24)22-15-8-6-5-7-14(15)19/h5-11,20-21H,4,12H2,1-3H3,(H,22,24)
InChIKeySYYZIXQKTAXVBP-UHFFFAOYSA-N
XLogP2.56
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide (CID 4884487) is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide?
The InChIKey is SYYZIXQKTAXVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-4-20-16-10-9-13(27(25,26)23(2)3)11-17(16)21-12-18(24)22-15-8-6-5-7-14(15)19/h5-11,20-21H,4,12H2,1-3H3,(H,22,24).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide?
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide has a molecular weight of 394.47 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4884487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).