N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide

C15H16BrNOS — CID 107233687

IUPACN-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCc1ccc(CBr)cc1
InChIInChI=1S/C15H16BrNOS/c1-2-13-7-8-19-14(13)15(18)17-10-12-5-3-11(9-16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyGTKNOXZFIPZWFX-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.14
Rot. Bonds5

About N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide

N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide (PubChem CID 107233687) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide
PubChem CID107233687
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCc1ccc(CBr)cc1
InChIInChI=1S/C15H16BrNOS/c1-2-13-7-8-19-14(13)15(18)17-10-12-5-3-11(9-16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyGTKNOXZFIPZWFX-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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

N-[4-(bromomethyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 114310919
4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
CID 102851859
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide
CID 107847427
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 63237534
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051
N-[(3-butoxyphenyl)methyl]-3-ethylthiophene-2-carboxamide
CID 60566887
2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid
CID 79457347
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide (CID 107233687) is N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NCc1ccc(CBr)cc1.
What is the InChIKey of N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is GTKNOXZFIPZWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-2-13-7-8-19-14(13)15(18)17-10-12-5-3-11(9-16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18).
What are the key properties of N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide?
N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 338.27 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 107233687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).