2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C11H13BrF3N3O2S — CID 26650821

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Br)s1
InChIInChI=1S/C11H13BrF3N3O2S/c1-18(4-7-2-3-8(12)21-7)5-9(19)17-10(20)16-6-11(13,14)15/h2-3H,4-6H2,1H3,(H2,16,17,19,20)
InChIKeyDRMHDOFPBNRTIV-UHFFFAOYSA-N
MW388.21 g/mol
LogP2.33
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 26650821) has the molecular formula C11H13BrF3N3O2S and a molecular weight of 388.21 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID26650821
Molecular FormulaC11H13BrF3N3O2S
Molecular Weight388.21 g/mol
Exact Mass386.99
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Br)s1
InChIInChI=1S/C11H13BrF3N3O2S/c1-18(4-7-2-3-8(12)21-7)5-9(19)17-10(20)16-6-11(13,14)15/h2-3H,4-6H2,1H3,(H2,16,17,19,20)
InChIKeyDRMHDOFPBNRTIV-UHFFFAOYSA-N
XLogP2.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 75394313
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
(2S)-N-(ethylcarbamoyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 26606086
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
2-[[2-[(4-Bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364291
N-[(5-bromothiophen-2-yl)methyl]-3,4-dimethyl-5-oxopiperazine-1-carboxamide
CID 121521192
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8792629
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8792630
2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8834852
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8834853
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26579457

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 26650821) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is DRMHDOFPBNRTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O2S/c1-18(4-7-2-3-8(12)21-7)5-9(19)17-10(20)16-6-11(13,14)15/h2-3H,4-6H2,1H3,(H2,16,17,19,20).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 388.21 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 26650821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).