N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide

C15H19NO2S — CID 47168017

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cc(C)sc2C)c(C)o1
InChIInChI=1S/C15H19NO2S/c1-8-6-14(11(4)18-8)15(17)16-10(3)13-7-9(2)19-12(13)5/h6-7,10H,1-5H3,(H,16,17)
InChIKeyHJMFGHXBVKMULW-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.07
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 47168017) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID47168017
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cc(C)sc2C)c(C)o1
InChIInChI=1S/C15H19NO2S/c1-8-6-14(11(4)18-8)15(17)16-10(3)13-7-9(2)19-12(13)5/h6-7,10H,1-5H3,(H,16,17)
InChIKeyHJMFGHXBVKMULW-UHFFFAOYSA-N
XLogP4.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid
CID 146143160
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide
CID 81242851
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729
3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
CID 95932132
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103891941
5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide
CID 62815438
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936594

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 47168017) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC(C)c2cc(C)sc2C)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HJMFGHXBVKMULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-8-6-14(11(4)18-8)15(17)16-10(3)13-7-9(2)19-12(13)5/h6-7,10H,1-5H3,(H,16,17).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 47168017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).