4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide

C15H19NO2S — CID 124510383

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide
SMILESCc1cc(CCCC(=O)NCc2ccco2)c(C)s1
InChIInChI=1S/C15H19NO2S/c1-11-9-13(12(2)19-11)5-3-7-15(17)16-10-14-6-4-8-18-14/h4,6,8-9H,3,5,7,10H2,1-2H3,(H,16,17)
InChIKeyNJQLXFUMYXZSFW-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.60
Rot. Bonds6

About 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide

4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide (PubChem CID 124510383) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide
PubChem CID124510383
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide
SMILESCc1cc(CCCC(=O)NCc2ccco2)c(C)s1
InChIInChI=1S/C15H19NO2S/c1-11-9-13(12(2)19-11)5-3-7-15(17)16-10-14-6-4-8-18-14/h4,6,8-9H,3,5,7,10H2,1-2H3,(H,16,17)
InChIKeyNJQLXFUMYXZSFW-UHFFFAOYSA-N
XLogP3.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 136513569
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 31638154
N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 119499768
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide
CID 108787804
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
5-[4-(furan-2-ylmethylamino)-4-oxobutyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46320147
4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
CID 111970464
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-(furan-2-ylmethyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 38254483

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide (CID 124510383) is 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide is Cc1cc(CCCC(=O)NCc2ccco2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is NJQLXFUMYXZSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-9-13(12(2)19-11)5-3-7-15(17)16-10-14-6-4-8-18-14/h4,6,8-9H,3,5,7,10H2,1-2H3,(H,16,17).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide?
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 277.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 124510383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).