4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C12H12BrNO2S — CID 1247646

IUPAC4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2ccco2)cc1Br
InChIInChI=1S/C12H12BrNO2S/c1-2-10-9(13)6-11(17-10)12(15)14-7-8-4-3-5-16-8/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyRMHLYSHIFAZLRP-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.60
Rot. Bonds4

About 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide

4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 1247646) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID1247646
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2ccco2)cc1Br
InChIInChI=1S/C12H12BrNO2S/c1-2-10-9(13)6-11(17-10)12(15)14-7-8-4-3-5-16-8/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyRMHLYSHIFAZLRP-UHFFFAOYSA-N
XLogP3.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
[2-(5-bromothiophen-2-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2488871
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
2-Cyano-N-furan-2-ylmethyl-3-(3-methyl-thiophen-2-yl)-acrylamide
CID 759842
5-bromo-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 897519
5-bromo-N-(2-furylmethyl)-2-thiophenecarboxamide
CID 1245863
2-N,5-N-bis(furan-2-ylmethyl)thiophene-2,5-dicarboxamide
CID 2314061
{[(Furan-2-yl)methyl]carbamoyl}methyl 5-methylthiophene-2-carboxylate
CID 2344662
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2355490
N-(2-furylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3238147
3-[(5-bromothien-2-yl)sulfonyl]-N-[(5-methyl-2-furyl)methyl]propanamide
CID 3242257

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 1247646) is 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide is CCc1sc(C(=O)NCc2ccco2)cc1Br.
What is the InChIKey of 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is RMHLYSHIFAZLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c1-2-10-9(13)6-11(17-10)12(15)14-7-8-4-3-5-16-8/h3-6H,2,7H2,1H3,(H,14,15).
What are the key properties of 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 314.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 1247646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).