N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide

C27H22N2O3 — CID 143437215

IUPACN-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide
SMILESC=C(c1c(-c2ccccc2)coc1C)c1c[nH]c2cc(C(=O)NCc3ccco3)ccc12
InChIInChI=1S/C27H22N2O3/c1-17(26-18(2)32-16-24(26)19-7-4-3-5-8-19)23-15-28-25-13-20(10-11-22(23)25)27(30)29-14-21-9-6-12-31-21/h3-13,15-16,28H,1,14H2,2H3,(H,29,30)
InChIKeySPHPDXVACTVQTM-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.32
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide

N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide (PubChem CID 143437215) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide
PubChem CID143437215
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC NameN-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide
SMILESC=C(c1c(-c2ccccc2)coc1C)c1c[nH]c2cc(C(=O)NCc3ccco3)ccc12
InChIInChI=1S/C27H22N2O3/c1-17(26-18(2)32-16-24(26)19-7-4-3-5-8-19)23-15-28-25-13-20(10-11-22(23)25)27(30)29-14-21-9-6-12-31-21/h3-13,15-16,28H,1,14H2,2H3,(H,29,30)
InChIKeySPHPDXVACTVQTM-UHFFFAOYSA-N
XLogP6.32
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110683767
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CID 27244504
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
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N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079602

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide (CID 143437215) is N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide is C=C(c1c(-c2ccccc2)coc1C)c1c[nH]c2cc(C(=O)NCc3ccco3)ccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide?
The InChIKey is SPHPDXVACTVQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-17(26-18(2)32-16-24(26)19-7-4-3-5-8-19)23-15-28-25-13-20(10-11-22(23)25)27(30)29-14-21-9-6-12-31-21/h3-13,15-16,28H,1,14H2,2H3,(H,29,30).
What are the key properties of N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide?
N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[1-(2-methyl-4-phenylfuran-3-yl)ethenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 143437215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).