2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

C14H12BrF3N2O3S2 — CID 15996234

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H12BrF3N2O3S2/c1-20(25(22,23)13-7-6-11(15)24-13)8-12(21)19-10-4-2-9(3-5-10)14(16,17)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyJUDXMZOJVVNMIS-UHFFFAOYSA-N
MW457.29 g/mol
LogP3.79
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 15996234) has the molecular formula C14H12BrF3N2O3S2 and a molecular weight of 457.29 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID15996234
Molecular FormulaC14H12BrF3N2O3S2
Molecular Weight457.29 g/mol
Exact Mass455.94
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H12BrF3N2O3S2/c1-20(25(22,23)13-7-6-11(15)24-13)8-12(21)19-10-4-2-9(3-5-10)14(16,17)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyJUDXMZOJVVNMIS-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110335714
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30168402
2-[(5-bromothiophen-2-yl)sulfonyl-[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 5258347
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 3245023
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 24677998
2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113158240
N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55883523
5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55822167
N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 15996234) is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JUDXMZOJVVNMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O3S2/c1-20(25(22,23)13-7-6-11(15)24-13)8-12(21)19-10-4-2-9(3-5-10)14(16,17)18/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 457.29 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 15996234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).