N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide

C14H14BrNO2S — CID 113274725

IUPACN-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(CBr)c2ccccc2)c1
InChIInChI=1S/C14H14BrNO2S/c1-18-11-7-13(19-9-11)14(17)16-12(8-15)10-5-3-2-4-6-10/h2-7,9,12H,8H2,1H3,(H,16,17)
InChIKeyIFTRYSJMYQATQA-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.62
Rot. Bonds5

About N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide

N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide (PubChem CID 113274725) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
PubChem CID113274725
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(CBr)c2ccccc2)c1
InChIInChI=1S/C14H14BrNO2S/c1-18-11-7-13(19-9-11)14(17)16-12(8-15)10-5-3-2-4-6-10/h2-7,9,12H,8H2,1H3,(H,16,17)
InChIKeyIFTRYSJMYQATQA-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide
CID 79464717
2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 81117482
4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547332
5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
CID 114311057
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238
N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
CID 113274753
4-amino-2-[(4-methoxythiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 81117804
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
4-methoxy-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115410128
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide (CID 113274725) is N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC(CBr)c2ccccc2)c1.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is IFTRYSJMYQATQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-11-7-13(19-9-11)14(17)16-12(8-15)10-5-3-2-4-6-10/h2-7,9,12H,8H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide?
N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 113274725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).