4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

C12H15BrF3NO2S — CID 103915623

IUPAC4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCCc1ccc(Br)s1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H15BrF3NO2S/c13-10-5-4-9(20-10)2-1-3-11(19)17(6-7-18)8-12(14,15)16/h4-5,18H,1-3,6-8H2
InChIKeyXLXVCOSFXHZEQZ-UHFFFAOYSA-N
MW374.22 g/mol
LogP3.22
Rot. Bonds7

About 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide

4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103915623) has the molecular formula C12H15BrF3NO2S and a molecular weight of 374.22 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103915623
Molecular FormulaC12H15BrF3NO2S
Molecular Weight374.22 g/mol
Exact Mass373.00
IUPAC Name4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCCc1ccc(Br)s1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H15BrF3NO2S/c13-10-5-4-9(20-10)2-1-3-11(19)17(6-7-18)8-12(14,15)16/h4-5,18H,1-3,6-8H2
InChIKeyXLXVCOSFXHZEQZ-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
2-[(5-bromothiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856868
(E)-3-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 103857353
N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103857530
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide
CID 115140158
4-(5-bromothiophen-2-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846274
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
tert-butyl 4-(5-bromothiophen-2-yl)butanoate
CID 79494944
4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106353383
3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61115959
5-[(5-bromothiophen-2-yl)methyl-ethylamino]-5-oxopentanoic acid
CID 54874919
propan-2-yl 4-(5-bromothiophen-2-yl)butanoate
CID 112723023

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 103915623) is 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is O=C(CCCc1ccc(Br)s1)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is XLXVCOSFXHZEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NO2S/c13-10-5-4-9(20-10)2-1-3-11(19)17(6-7-18)8-12(14,15)16/h4-5,18H,1-3,6-8H2.
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide?
4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 374.22 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103915623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).