N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide

C15H16BrNOS — CID 113274753

IUPACN-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(CBr)c1ccccc1
InChIInChI=1S/C15H16BrNOS/c1-2-11-8-9-19-14(11)15(18)17-13(10-16)12-6-4-3-5-7-12/h3-9,13H,2,10H2,1H3,(H,17,18)
InChIKeyLJPHMFBKAVMEEW-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.18
Rot. Bonds5

About N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide

N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide (PubChem CID 113274753) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
PubChem CID113274753
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(CBr)c1ccccc1
InChIInChI=1S/C15H16BrNOS/c1-2-11-8-9-19-14(11)15(18)17-13(10-16)12-6-4-3-5-7-12/h3-9,13H,2,10H2,1H3,(H,17,18)
InChIKeyLJPHMFBKAVMEEW-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(3-ethylthiophene-2-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219102
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide
CID 86909665
N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
CID 113274725
N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 79985275
N-[(2R)-1-aminopropan-2-yl]-3-ethylthiophene-2-carboxamide
CID 104872864
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide
CID 78989474
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 55229401
5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
CID 114311057

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide (CID 113274753) is N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NC(CBr)c1ccccc1.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is LJPHMFBKAVMEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-2-11-8-9-19-14(11)15(18)17-13(10-16)12-6-4-3-5-7-12/h3-9,13H,2,10H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide?
N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 338.27 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 113274753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).