2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H10BrF3N2OS — CID 102840396

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1sc(C(NCC(F)(F)F)C(N)=O)cc1Br
InChIInChI=1S/C9H10BrF3N2OS/c1-4-5(10)2-6(17-4)7(8(14)16)15-3-9(11,12)13/h2,7,15H,3H2,1H3,(H2,14,16)
InChIKeyWRJINHULZXOWHQ-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 102840396) has the molecular formula C9H10BrF3N2OS and a molecular weight of 331.16 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID102840396
Molecular FormulaC9H10BrF3N2OS
Molecular Weight331.16 g/mol
Exact Mass329.96
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1sc(C(NCC(F)(F)F)C(N)=O)cc1Br
InChIInChI=1S/C9H10BrF3N2OS/c1-4-5(10)2-6(17-4)7(8(14)16)15-3-9(11,12)13/h2,7,15H,3H2,1H3,(H2,14,16)
InChIKeyWRJINHULZXOWHQ-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]amino]-N-(cyanomethyl)-4-methylpentanamide
CID 10237863
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458778
(2S)-N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]-2-(cyanomethylamino)-4-methylpentanamide
CID 87388210
(2S)-2-[[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]-(cyanomethyl)amino]-4-methylpentanamide
CID 123509621
2-[[(1R)-2,2-difluoro-1-thiophen-2-ylethyl]amino]propanamide
CID 141103771
(2R)-2-[(2,2-difluoro-1-thiophen-2-ylethyl)amino]propanamide
CID 142682374
N-[(1R)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 1458567
N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 1458568
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 3216450
2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962058
2-(2,5-Dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 54977382
5-bromo-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 56027488

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 102840396) is 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1sc(C(NCC(F)(F)F)C(N)=O)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WRJINHULZXOWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2OS/c1-4-5(10)2-6(17-4)7(8(14)16)15-3-9(11,12)13/h2,7,15H,3H2,1H3,(H2,14,16).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 331.16 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 102840396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).