2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide

C18H19BrF3N3O3S — CID 38923929

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrF3N3O3S/c1-24(2)16-9-4-12(18(20,21)22)10-15(16)23-17(26)11-25(3)29(27,28)14-7-5-13(19)6-8-14/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeySOOIMSUEKCVXCE-UHFFFAOYSA-N
MW494.33 g/mol
LogP3.79
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 38923929) has the molecular formula C18H19BrF3N3O3S and a molecular weight of 494.33 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID38923929
Molecular FormulaC18H19BrF3N3O3S
Molecular Weight494.33 g/mol
Exact Mass493.03
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrF3N3O3S/c1-24(2)16-9-4-12(18(20,21)22)10-15(16)23-17(26)11-25(3)29(27,28)14-7-5-13(19)6-8-14/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeySOOIMSUEKCVXCE-UHFFFAOYSA-N
XLogP3.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
CID 39166749
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45375202
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803318
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide
CID 55973446
N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 55549796
2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide
CID 46404289
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123486

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide (CID 38923929) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SOOIMSUEKCVXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF3N3O3S/c1-24(2)16-9-4-12(18(20,21)22)10-15(16)23-17(26)11-25(3)29(27,28)14-7-5-13(19)6-8-14/h4-10H,11H2,1-3H3,(H,23,26).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 494.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 38923929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).