N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

C18H21N3O3S — CID 50983086

IUPACN-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(c1ccc(CSc2ncccn2)o1)N(C1CCOCC1)C1CC1
InChIInChI=1S/C18H21N3O3S/c22-17(21(13-2-3-13)14-6-10-23-11-7-14)16-5-4-15(24-16)12-25-18-19-8-1-9-20-18/h1,4-5,8-9,13-14H,2-3,6-7,10-12H2
InChIKeyBKZNNRIFDQJAHG-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.15
Rot. Bonds6

About N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 50983086) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID50983086
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(c1ccc(CSc2ncccn2)o1)N(C1CCOCC1)C1CC1
InChIInChI=1S/C18H21N3O3S/c22-17(21(13-2-3-13)14-6-10-23-11-7-14)16-5-4-15(24-16)12-25-18-19-8-1-9-20-18/h1,4-5,8-9,13-14H,2-3,6-7,10-12H2
InChIKeyBKZNNRIFDQJAHG-UHFFFAOYSA-N
XLogP3.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (CID 50983086) is N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is O=C(c1ccc(CSc2ncccn2)o1)N(C1CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is BKZNNRIFDQJAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-17(21(13-2-3-13)14-6-10-23-11-7-14)16-5-4-15(24-16)12-25-18-19-8-1-9-20-18/h1,4-5,8-9,13-14H,2-3,6-7,10-12H2.
What are the key properties of N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxan-4-yl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50983086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).