N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

C18H22BrFN4O3S — CID 4884599

IUPACN-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H22BrFN4O3S/c1-4-21-16-8-6-13(28(26,27)24(2)3)10-17(16)22-11-18(25)23-15-7-5-12(19)9-14(15)20/h5-10,21-22H,4,11H2,1-3H3,(H,23,25)
InChIKeyASPUFLUJCWPKDU-UHFFFAOYSA-N
MW473.37 g/mol
LogP3.32
Rot. Bonds8

About N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide (PubChem CID 4884599) has the molecular formula C18H22BrFN4O3S and a molecular weight of 473.37 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
PubChem CID4884599
Molecular FormulaC18H22BrFN4O3S
Molecular Weight473.37 g/mol
Exact Mass472.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H22BrFN4O3S/c1-4-21-16-8-6-13(28(26,27)24(2)3)10-17(16)22-11-18(25)23-15-7-5-12(19)9-14(15)20/h5-10,21-22H,4,11H2,1-3H3,(H,23,25)
InChIKeyASPUFLUJCWPKDU-UHFFFAOYSA-N
XLogP3.32
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.37
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 42125792
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574
methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409
N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide
CID 24616557
N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884054
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-phenoxyphenyl)acetamide
CID 4884363
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533737
2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 9099689

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide (CID 4884599) is N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The InChIKey is ASPUFLUJCWPKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrFN4O3S/c1-4-21-16-8-6-13(28(26,27)24(2)3)10-17(16)22-11-18(25)23-15-7-5-12(19)9-14(15)20/h5-10,21-22H,4,11H2,1-3H3,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide has a molecular weight of 473.37 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide is sourced from PubChem (CID 4884599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).