N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide

C21H20N2O2S — CID 9034569

IUPACN-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide
SMILESCc1ccc2[nH]c(-c3cccs3)c(CCC(=O)NCc3ccco3)c2c1
InChIInChI=1S/C21H20N2O2S/c1-14-6-8-18-17(12-14)16(21(23-18)19-5-3-11-26-19)7-9-20(24)22-13-15-4-2-10-25-15/h2-6,8,10-12,23H,7,9,13H2,1H3,(H,22,24)
InChIKeyFURVPOLCOHVSBJ-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.05
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide

N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide (PubChem CID 9034569) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide
PubChem CID9034569
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide
SMILESCc1ccc2[nH]c(-c3cccs3)c(CCC(=O)NCc3ccco3)c2c1
InChIInChI=1S/C21H20N2O2S/c1-14-6-8-18-17(12-14)16(21(23-18)19-5-3-11-26-19)7-9-20(24)22-13-15-4-2-10-25-15/h2-6,8,10-12,23H,7,9,13H2,1H3,(H,22,24)
InChIKeyFURVPOLCOHVSBJ-UHFFFAOYSA-N
XLogP5.05
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832771
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 34239440
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 113211934
N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333440
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
3-(furan-2-yl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110413804
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 31638154
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide
CID 124510383
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762072

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide (CID 9034569) is N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide is Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)NCc3ccco3)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide?
The InChIKey is FURVPOLCOHVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-6-8-18-17(12-14)16(21(23-18)19-5-3-11-26-19)7-9-20(24)22-13-15-4-2-10-25-15/h2-6,8,10-12,23H,7,9,13H2,1H3,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide?
N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide has a molecular weight of 364.47 g/mol, XLogP of 5.05, 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-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 9034569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).