2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide

C17H21NO2S — CID 46432738

IUPAC2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide
SMILESCSc1ccc(C(C)NC(=O)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C17H21NO2S/c1-10-12(3)20-13(4)16(10)17(19)18-11(2)14-6-8-15(21-5)9-7-14/h6-9,11H,1-5H3,(H,18,19)
InChIKeyWELMCHWUHAOZJP-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.42
Rot. Bonds4

About 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide

2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide (PubChem CID 46432738) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide
PubChem CID46432738
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide
SMILESCSc1ccc(C(C)NC(=O)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C17H21NO2S/c1-10-12(3)20-13(4)16(10)17(19)18-11(2)14-6-8-15(21-5)9-7-14/h6-9,11H,1-5H3,(H,18,19)
InChIKeyWELMCHWUHAOZJP-UHFFFAOYSA-N
XLogP4.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 46599636
N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522444
3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 46440611
3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 38916927
2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 34483278
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46418044
3,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107980230
2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 62512005
2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43698352
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide (CID 46432738) is 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide is CSc1ccc(C(C)NC(=O)c2c(C)oc(C)c2C)cc1.
What is the InChIKey of 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide?
The InChIKey is WELMCHWUHAOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-10-12(3)20-13(4)16(10)17(19)18-11(2)14-6-8-15(21-5)9-7-14/h6-9,11H,1-5H3,(H,18,19).
What are the key properties of 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide?
2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 46432738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).