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

C21H20N2O2S — CID 4882423

IUPACN-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H20N2O2S/c24-21(10-9-16-13-22-20-8-2-1-7-19(16)20)23(14-17-5-3-11-25-17)15-18-6-4-12-26-18/h1-8,11-13,22H,9-10,14-15H2
InChIKeyHDKBZKMACXHWSQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.98
Rot. Bonds7

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

N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 4882423) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID4882423
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H20N2O2S/c24-21(10-9-16-13-22-20-8-2-1-7-19(16)20)23(14-17-5-3-11-25-17)15-18-6-4-12-26-18/h1-8,11-13,22H,9-10,14-15H2
InChIKeyHDKBZKMACXHWSQ-UHFFFAOYSA-N
XLogP4.98
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 4882423) is N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is HDKBZKMACXHWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(10-9-16-13-22-20-8-2-1-7-19(16)20)23(14-17-5-3-11-25-17)15-18-6-4-12-26-18/h1-8,11-13,22H,9-10,14-15H2.
What are the key properties of N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 364.47 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 4882423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).