2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

C9H10BrF3N2OS — CID 79811468

IUPAC2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCc1cc(Br)cs1)C(F)(F)F
InChIInChI=1S/C9H10BrF3N2OS/c1-8(14,9(11,12)13)7(16)15-3-6-2-5(10)4-17-6/h2,4H,3,14H2,1H3,(H,15,16)
InChIKeyOISGCSCDLZEXNZ-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811468) has the molecular formula C9H10BrF3N2OS and a molecular weight of 331.16 g/mol. Its IUPAC name is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811468
Molecular FormulaC9H10BrF3N2OS
Molecular Weight331.16 g/mol
Exact Mass329.96
IUPAC Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCc1cc(Br)cs1)C(F)(F)F
InChIInChI=1S/C9H10BrF3N2OS/c1-8(14,9(11,12)13)7(16)15-3-6-2-5(10)4-17-6/h2,4H,3,14H2,1H3,(H,15,16)
InChIKeyOISGCSCDLZEXNZ-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide 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

3-[(4-Bromothiophen-2-yl)methyl-methylamino]propanamide
CID 45826392
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide
CID 134809038
4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 17218082
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
N1-(thiophen-2-ylmethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45584453
2-[[2-[(4-Bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364268
2-[[2-[(4-Bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364291
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 81489561
N-(2,2-dimethylpropyl)-2-methyl-2-(thiophen-2-ylmethylamino)propanamide
CID 122135166
(2S)-2-[[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]amino]-N-(cyanomethyl)-4-methylpentanamide
CID 10237863
(2S)-2-amino-N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]-N-(cyanomethyl)-4-methylpentanamide
CID 87345278

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (CID 79811468) is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NCc1cc(Br)cs1)C(F)(F)F.
What is the InChIKey of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is OISGCSCDLZEXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2OS/c1-8(14,9(11,12)13)7(16)15-3-6-2-5(10)4-17-6/h2,4H,3,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 331.16 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).