5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide

C25H23NO2S — CID 21046086

IUPAC5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
SMILESCc1cccc(C)c1SCc1ccc(C(=O)NCc2cccc3ccccc23)o1
InChIInChI=1S/C25H23NO2S/c1-17-7-5-8-18(2)24(17)29-16-21-13-14-23(28-21)25(27)26-15-20-11-6-10-19-9-3-4-12-22(19)20/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyIHTFQOHPIXMEPS-UHFFFAOYSA-N
MW401.53 g/mol
LogP6.27
Rot. Bonds6

About 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide

5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide (PubChem CID 21046086) has the molecular formula C25H23NO2S and a molecular weight of 401.53 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
PubChem CID21046086
Molecular FormulaC25H23NO2S
Molecular Weight401.53 g/mol
Exact Mass401.14
IUPAC Name5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
SMILESCc1cccc(C)c1SCc1ccc(C(=O)NCc2cccc3ccccc23)o1
InChIInChI=1S/C25H23NO2S/c1-17-7-5-8-18(2)24(17)29-16-21-13-14-23(28-21)25(27)26-15-20-11-6-10-19-9-3-4-12-22(19)20/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyIHTFQOHPIXMEPS-UHFFFAOYSA-N
XLogP6.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046099
N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047159
N-(naphthalen-1-ylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046852
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046091
N-[(4-cyanocyclohexyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047914
ethyl 2-[[5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carbonyl]amino]propanoate
CID 21046503
5-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719
N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
CID 21046851
N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047104
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047070
5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 15605048
N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 60675809

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide (CID 21046086) is 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide is Cc1cccc(C)c1SCc1ccc(C(=O)NCc2cccc3ccccc23)o1.
What is the InChIKey of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide?
The InChIKey is IHTFQOHPIXMEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2S/c1-17-7-5-8-18(2)24(17)29-16-21-13-14-23(28-21)25(27)26-15-20-11-6-10-19-9-3-4-12-22(19)20/h3-14H,15-16H2,1-2H3,(H,26,27).
What are the key properties of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide?
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 21046086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).