N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide

C14H14BrNOS — CID 113274434

IUPACN-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccccc2CBr)s1
InChIInChI=1S/C14H14BrNOS/c1-2-11-7-8-13(18-11)14(17)16-12-6-4-3-5-10(12)9-15/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyHHYGMXGEELSMCL-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.46
Rot. Bonds4

About N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide

N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide (PubChem CID 113274434) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide
PubChem CID113274434
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccccc2CBr)s1
InChIInChI=1S/C14H14BrNOS/c1-2-11-7-8-13(18-11)14(17)16-12-6-4-3-5-10(12)9-15/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyHHYGMXGEELSMCL-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.46
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

5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 54960567
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
5-ethyl-N'-(2-hydroxybenzoyl)thiophene-2-carbohydrazide
CID 47123757
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
CID 64786376
N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
CID 54594630
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
N-[2-(bromomethyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 114309702
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide (CID 113274434) is N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2ccccc2CBr)s1.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide?
The InChIKey is HHYGMXGEELSMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-2-11-7-8-13(18-11)14(17)16-12-6-4-3-5-10(12)9-15/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide?
N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 113274434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).