5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide

C24H22N2O2S2 — CID 21046141

IUPAC5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
SMILESCc1cccc(C)c1Sc1ccc(C(=O)N(Cc2cccnc2)Cc2ccsc2)o1
InChIInChI=1S/C24H22N2O2S2/c1-17-5-3-6-18(2)23(17)30-22-9-8-21(28-22)24(27)26(15-20-10-12-29-16-20)14-19-7-4-11-25-13-19/h3-13,16H,14-15H2,1-2H3
InChIKeyKPWYOPMZCNNWBG-UHFFFAOYSA-N
MW434.59 g/mol
LogP6.35
Rot. Bonds7

About 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide

5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide (PubChem CID 21046141) has the molecular formula C24H22N2O2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
PubChem CID21046141
Molecular FormulaC24H22N2O2S2
Molecular Weight434.59 g/mol
Exact Mass434.11
IUPAC Name5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
SMILESCc1cccc(C)c1Sc1ccc(C(=O)N(Cc2cccnc2)Cc2ccsc2)o1
InChIInChI=1S/C24H22N2O2S2/c1-17-5-3-6-18(2)23(17)30-22-9-8-21(28-22)24(27)26(15-20-10-12-29-16-20)14-19-7-4-11-25-13-19/h3-13,16H,14-15H2,1-2H3
InChIKeyKPWYOPMZCNNWBG-UHFFFAOYSA-N
XLogP6.35
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 21046146
5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 21048408
4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 119059655
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 74237314
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea
CID 97280028
5-(methoxymethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87028392
N-(2-cyanoethyl)-5-[[3-(2-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42794257
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46492404

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide (CID 21046141) is 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide is Cc1cccc(C)c1Sc1ccc(C(=O)N(Cc2cccnc2)Cc2ccsc2)o1.
What is the InChIKey of 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide?
The InChIKey is KPWYOPMZCNNWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S2/c1-17-5-3-6-18(2)23(17)30-22-9-8-21(28-22)24(27)26(15-20-10-12-29-16-20)14-19-7-4-11-25-13-19/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide?
5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide has a molecular weight of 434.59 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 21046141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).