N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C21H22N2O2S — CID 50956678

IUPACN-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(c2cccnc2)c2cc(C)ccc2C)o1
InChIInChI=1S/C21H22N2O2S/c1-14-6-7-15(2)18(11-14)20(16-5-4-10-22-12-16)23-21(24)19-9-8-17(25-19)13-26-3/h4-12,20H,13H2,1-3H3,(H,23,24)
InChIKeyADWMNTBOKZZPLY-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.67
Rot. Bonds6

About N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 50956678) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID50956678
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(c2cccnc2)c2cc(C)ccc2C)o1
InChIInChI=1S/C21H22N2O2S/c1-14-6-7-15(2)18(11-14)20(16-5-4-10-22-12-16)23-21(24)19-9-8-17(25-19)13-26-3/h4-12,20H,13H2,1-3H3,(H,23,24)
InChIKeyADWMNTBOKZZPLY-UHFFFAOYSA-N
XLogP4.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(pyridin-4-yl)furan-2-carboxamide
CID 91391208
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
lithium (2S)-2-[[2-(2-methylphenyl)-4-[(5-pyridin-2-ylfuran-2-yl)methoxymethyl]benzoyl]amino]-4-methylsulfanylbutanoate
CID 44266955
lithium (2S)-2-[[2-(2-methylphenyl)-4-[(5-pyridin-3-ylfuran-2-yl)methoxymethyl]benzoyl]amino]-4-methylsulfanylbutanoate
CID 44266976
lithium (2S)-2-[[2-(2-methylphenyl)-4-[(5-pyridin-4-ylfuran-2-yl)methoxymethyl]benzoyl]amino]-4-methylsulfanylbutanoate
CID 44266980
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 135581547
5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 903714
3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 975422
N-[(5-methylpyrazin-2-yl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 9910626
5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 5295600
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 44634770
ALP-POS-b0bc6a46-10
CID 156906939

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 50956678) is N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)NC(c2cccnc2)c2cc(C)ccc2C)o1.
What is the InChIKey of N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is ADWMNTBOKZZPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14-6-7-15(2)18(11-14)20(16-5-4-10-22-12-16)23-21(24)19-9-8-17(25-19)13-26-3/h4-12,20H,13H2,1-3H3,(H,23,24).
What are the key properties of N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50956678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).