4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide

C19H14N2O2S — CID 10472063

IUPAC4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide
SMILESCSc1ccc(C(=O)Nc2ccncc2)c2c1oc1ccccc12
InChIInChI=1S/C19H14N2O2S/c1-24-16-7-6-14(19(22)21-12-8-10-20-11-9-12)17-13-4-2-3-5-15(13)23-18(16)17/h2-11H,1H3,(H,20,21,22)
InChIKeyTZONTMNTDMWNPY-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.96
Rot. Bonds3

About 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide

4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide (PubChem CID 10472063) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide
PubChem CID10472063
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide
SMILESCSc1ccc(C(=O)Nc2ccncc2)c2c1oc1ccccc12
InChIInChI=1S/C19H14N2O2S/c1-24-16-7-6-14(19(22)21-12-8-10-20-11-9-12)17-13-4-2-3-5-15(13)23-18(16)17/h2-11H,1H3,(H,20,21,22)
InChIKeyTZONTMNTDMWNPY-UHFFFAOYSA-N
XLogP4.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N-pyridin-4-yl-1-benzofuran-3-carboxamide
CID 6492144
N-phenyldibenzofuran-1-carboxamide
CID 11850358
2-oxo-2-[4-(2-oxoethyl)dibenzofuran-1-yl]-N-pyridin-4-ylacetamide
CID 89265424
N-(4-methoxyphenyl)dibenzofuran-1-carboxamide
CID 134956238
3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
CID 2266147
N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide
CID 86620987
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
5-bromo-N-[4-[(5-bromo-2-methylsulfanylbenzoyl)amino]phenyl]-2-methylsulfanylbenzamide
CID 4604381
3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7266821
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide?
The IUPAC name of 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide (CID 10472063) is 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide.
What is the SMILES notation for 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide?
The canonical SMILES for 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide is CSc1ccc(C(=O)Nc2ccncc2)c2c1oc1ccccc12.
What is the InChIKey of 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide?
The InChIKey is TZONTMNTDMWNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-24-16-7-6-14(19(22)21-12-8-10-20-11-9-12)17-13-4-2-3-5-15(13)23-18(16)17/h2-11H,1H3,(H,20,21,22).
What are the key properties of 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide?
4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-pyridin-4-yldibenzofuran-1-carboxamide is sourced from PubChem (CID 10472063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).