5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide

C11H14BrNOS — CID 43424494

IUPAC5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H14BrNOS/c1-4-13(6-8(2)3)11(14)9-5-10(12)15-7-9/h5,7H,2,4,6H2,1,3H3
InChIKeyDVAGFLDPSYOUCF-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.55
Rot. Bonds4

About 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide

5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide (PubChem CID 43424494) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
PubChem CID43424494
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H14BrNOS/c1-4-13(6-8(2)3)11(14)9-5-10(12)15-7-9/h5,7H,2,4,6H2,1,3H3
InChIKeyDVAGFLDPSYOUCF-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
CID 61013447
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N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-ethylthiophene-3-carboxamide
CID 107961729
5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 114263702
N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 113347115
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide
CID 63525816
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 94042730
4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 102850823
5-bromo-N-methyl-N-(2-methylbutan-2-yl)thiophene-3-carboxamide
CID 63958500
5-bromo-N-cyclohexyl-N-ethylthiophene-3-carboxamide
CID 43424613
3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 24697009

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide (CID 43424494) is 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide is C=C(C)CN(CC)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide?
The InChIKey is DVAGFLDPSYOUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-4-13(6-8(2)3)11(14)9-5-10(12)15-7-9/h5,7H,2,4,6H2,1,3H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide?
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide has a molecular weight of 288.21 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).