5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide

C21H22N2O2S — CID 21046146

IUPAC5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(Sc2c(C)cccc2C)o1
InChIInChI=1S/C21H22N2O2S/c1-4-23(14-17-10-12-22-13-11-17)21(24)18-8-9-19(25-18)26-20-15(2)6-5-7-16(20)3/h5-13H,4,14H2,1-3H3
InChIKeyHTOMLZSMBCNCAX-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.10
Rot. Bonds6

About 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide

5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide (PubChem CID 21046146) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
PubChem CID21046146
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(Sc2c(C)cccc2C)o1
InChIInChI=1S/C21H22N2O2S/c1-4-23(14-17-10-12-22-13-11-17)21(24)18-8-9-19(25-18)26-20-15(2)6-5-7-16(20)3/h5-13H,4,14H2,1-3H3
InChIKeyHTOMLZSMBCNCAX-UHFFFAOYSA-N
XLogP5.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
CID 21046141
5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 21048374
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
5-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 21046065
N-ethyl-N-(pyridin-4-ylmethyl)cyclohexene-1-carboxamide
CID 102234848
N-ethyl-4-(methoxymethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 74233377
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N-ethyl-5-(methoxymethyl)-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 78852716
N-[(4-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340438
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide (CID 21046146) is 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide is CCN(Cc1ccncc1)C(=O)c1ccc(Sc2c(C)cccc2C)o1.
What is the InChIKey of 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is HTOMLZSMBCNCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-4-23(14-17-10-12-22-13-11-17)21(24)18-8-9-19(25-18)26-20-15(2)6-5-7-16(20)3/h5-13H,4,14H2,1-3H3.
What are the key properties of 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 21046146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).