4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide

C17H22BrNO2S — CID 55904549

IUPAC4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide
SMILESCCC(CC)C(NC(=O)c1c(C)oc(C)c1Br)c1cccs1
InChIInChI=1S/C17H22BrNO2S/c1-5-12(6-2)16(13-8-7-9-22-13)19-17(20)14-10(3)21-11(4)15(14)18/h7-9,12,16H,5-6H2,1-4H3,(H,19,20)
InChIKeyPMYCOHZCDUTOJC-UHFFFAOYSA-N
MW384.34 g/mol
LogP5.63
Rot. Bonds6

About 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide

4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 55904549) has the molecular formula C17H22BrNO2S and a molecular weight of 384.34 g/mol. Its IUPAC name is 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID55904549
Molecular FormulaC17H22BrNO2S
Molecular Weight384.34 g/mol
Exact Mass383.06
IUPAC Name4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide
SMILESCCC(CC)C(NC(=O)c1c(C)oc(C)c1Br)c1cccs1
InChIInChI=1S/C17H22BrNO2S/c1-5-12(6-2)16(13-8-7-9-22-13)19-17(20)14-10(3)21-11(4)15(14)18/h7-9,12,16H,5-6H2,1-4H3,(H,19,20)
InChIKeyPMYCOHZCDUTOJC-UHFFFAOYSA-N
XLogP5.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.34
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide
CID 55903262
5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide
CID 95157907
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55984026
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
CID 94635932
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
CID 119300993
4-bromo-2,5-dimethyl-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-3-carboxamide
CID 55655958
4-[(2-ethyl-1-thiophen-2-ylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673032
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
CID 51966644
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55903525
3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 104852226
N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 94635884

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide (CID 55904549) is 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide is CCC(CC)C(NC(=O)c1c(C)oc(C)c1Br)c1cccs1.
What is the InChIKey of 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PMYCOHZCDUTOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2S/c1-5-12(6-2)16(13-8-7-9-22-13)19-17(20)14-10(3)21-11(4)15(14)18/h7-9,12,16H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55904549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).