N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

C20H19N3O2S — CID 50965704

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(CSc2ncccn2)o1)C1Cc2ccccc2C1
InChIInChI=1S/C20H19N3O2S/c1-23(16-11-14-5-2-3-6-15(14)12-16)19(24)18-8-7-17(25-18)13-26-20-21-9-4-10-22-20/h2-10,16H,11-13H2,1H3
InChIKeyUHDAQCZIYHIDBV-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.60
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 50965704) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID50965704
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(CSc2ncccn2)o1)C1Cc2ccccc2C1
InChIInChI=1S/C20H19N3O2S/c1-23(16-11-14-5-2-3-6-15(14)12-16)19(24)18-8-7-17(25-18)13-26-20-21-9-4-10-22-20/h2-10,16H,11-13H2,1H3
InChIKeyUHDAQCZIYHIDBV-UHFFFAOYSA-N
XLogP3.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (CID 50965704) is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is CN(C(=O)c1ccc(CSc2ncccn2)o1)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is UHDAQCZIYHIDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-23(16-11-14-5-2-3-6-15(14)12-16)19(24)18-8-7-17(25-18)13-26-20-21-9-4-10-22-20/h2-10,16H,11-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50965704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).