2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

C10H12BrF3N2OS — CID 106048063

IUPAC2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCCc1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C10H12BrF3N2OS/c1-9(15,10(12,13)14)8(17)16-5-4-6-2-3-7(11)18-6/h2-3H,4-5,15H2,1H3,(H,16,17)
InChIKeyURCCQDNWIWCNDA-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 106048063) has the molecular formula C10H12BrF3N2OS and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID106048063
Molecular FormulaC10H12BrF3N2OS
Molecular Weight345.18 g/mol
Exact Mass343.98
IUPAC Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCCc1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C10H12BrF3N2OS/c1-9(15,10(12,13)14)8(17)16-5-4-6-2-3-7(11)18-6/h2-3H,4-5,15H2,1H3,(H,16,17)
InChIKeyURCCQDNWIWCNDA-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
(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
(2S)-N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]-2-(cyanomethylamino)-4-methylpentanamide
CID 87388210
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26650821
1-[2-(5-Bromothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47140135
(E)-3-(5-bromothiophen-2-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 47330525
2-(2-thiophen-2-ylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646754
2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957827
2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957963
2-(5-Bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 61346823

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (CID 106048063) is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NCCc1ccc(Br)s1)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is URCCQDNWIWCNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2OS/c1-9(15,10(12,13)14)8(17)16-5-4-6-2-3-7(11)18-6/h2-3H,4-5,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 345.18 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 106048063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).