5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide

C17H21N3O3S — CID 175640680

IUPAC5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC2CCC(Sc3ncccn3)CC2)o1
InChIInChI=1S/C17H21N3O3S/c1-22-11-13-5-8-15(23-13)16(21)20-12-3-6-14(7-4-12)24-17-18-9-2-10-19-17/h2,5,8-10,12,14H,3-4,6-7,11H2,1H3,(H,20,21)
InChIKeyXYLQKTNDJIMUDK-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.05
Rot. Bonds6

About 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide

5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide (PubChem CID 175640680) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide
PubChem CID175640680
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC2CCC(Sc3ncccn3)CC2)o1
InChIInChI=1S/C17H21N3O3S/c1-22-11-13-5-8-15(23-13)16(21)20-12-3-6-14(7-4-12)24-17-18-9-2-10-19-17/h2,5,8-10,12,14H,3-4,6-7,11H2,1H3,(H,20,21)
InChIKeyXYLQKTNDJIMUDK-UHFFFAOYSA-N
XLogP3.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
5-(methoxymethyl)-N-(1-propylpiperidin-4-yl)furan-2-carboxamide
CID 78827546
5-(methoxymethyl)-N-[(1R,3S)-3-(2-pyrazol-1-ylethylcarbamoyl)cyclopentyl]furan-2-carboxamide
CID 70709236
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide
CID 175643647
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide
CID 97342704
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide (CID 175640680) is 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide is COCc1ccc(C(=O)NC2CCC(Sc3ncccn3)CC2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide?
The InChIKey is XYLQKTNDJIMUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-22-11-13-5-8-15(23-13)16(21)20-12-3-6-14(7-4-12)24-17-18-9-2-10-19-17/h2,5,8-10,12,14H,3-4,6-7,11H2,1H3,(H,20,21).
What are the key properties of 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide?
5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 175640680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).