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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Related Compounds

N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50978311
N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50983086
(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 156607713
(3-piperidin-1-ylazetidin-1-yl)-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 135117245
N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50950921
5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 82110625
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 55772175
[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72869384
N-(2-aminoethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 120886036
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 135103602
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 97114013

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).