N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide

C26H21N3O2S — CID 139981131

IUPACN-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide
SMILESCSc1cc2cc(-c3ccco3)ccc2n1-c1ccc(NC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C26H21N3O2S/c1-32-26-16-20-15-19(24-5-3-13-31-24)6-11-23(20)29(26)22-9-7-21(8-10-22)28-25(30)14-18-4-2-12-27-17-18/h2-13,15-17H,14H2,1H3,(H,28,30)
InChIKeyPHEXNENDUHCOLX-UHFFFAOYSA-N
MW439.54 g/mol
LogP6.19
Rot. Bonds6

About N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide

N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide (PubChem CID 139981131) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide
PubChem CID139981131
Molecular FormulaC26H21N3O2S
Molecular Weight439.54 g/mol
Exact Mass439.14
IUPAC NameN-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide
SMILESCSc1cc2cc(-c3ccco3)ccc2n1-c1ccc(NC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C26H21N3O2S/c1-32-26-16-20-15-19(24-5-3-13-31-24)6-11-23(20)29(26)22-9-7-21(8-10-22)28-25(30)14-18-4-2-12-27-17-18/h2-13,15-17H,14H2,1H3,(H,28,30)
InChIKeyPHEXNENDUHCOLX-UHFFFAOYSA-N
XLogP6.19
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide
CID 139981145
N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide
CID 139981168
N-[4-(5-cyano-2-methylindol-1-yl)phenyl]-2-pyridin-3-ylacetamide
CID 139981144
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
N-[4-(furan-2-yl)phenyl]pyridine-3-carboxamide
CID 168526932
N-[2-(furan-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 69279959
N-[4-(furan-2-yl)phenyl]-3-methylbutanamide
CID 168525798
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride
CID 123743286
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2047207

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide (CID 139981131) is N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide is CSc1cc2cc(-c3ccco3)ccc2n1-c1ccc(NC(=O)Cc2cccnc2)cc1.
What is the InChIKey of N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is PHEXNENDUHCOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c1-32-26-16-20-15-19(24-5-3-13-31-24)6-11-23(20)29(26)22-9-7-21(8-10-22)28-25(30)14-18-4-2-12-27-17-18/h2-13,15-17H,14H2,1H3,(H,28,30).
What are the key properties of N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide?
N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 439.54 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(furan-2-yl)-2-methylsulfanylindol-1-yl]phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 139981131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).