2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide

C22H19F3N4O4S — CID 1152616

IUPAC2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H19F3N4O4S/c23-22(24,25)18-12-16(17-2-1-9-33-17)27-21(28-18)34-13-19(30)26-15-5-3-14(4-6-15)20(31)29-7-10-32-11-8-29/h1-6,9,12H,7-8,10-11,13H2,(H,26,30)
InChIKeyFLCNACMSKXDUHQ-UHFFFAOYSA-N
MW492.48 g/mol
LogP3.96
Rot. Bonds6

About 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide

2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 1152616) has the molecular formula C22H19F3N4O4S and a molecular weight of 492.48 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID1152616
Molecular FormulaC22H19F3N4O4S
Molecular Weight492.48 g/mol
Exact Mass492.11
IUPAC Name2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H19F3N4O4S/c23-22(24,25)18-12-16(17-2-1-9-33-17)27-21(28-18)34-13-19(30)26-15-5-3-14(4-6-15)20(31)29-7-10-32-11-8-29/h1-6,9,12H,7-8,10-11,13H2,(H,26,30)
InChIKeyFLCNACMSKXDUHQ-UHFFFAOYSA-N
XLogP3.96
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide (CID 1152616) is 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide is O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is FLCNACMSKXDUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O4S/c23-22(24,25)18-12-16(17-2-1-9-33-17)27-21(28-18)34-13-19(30)26-15-5-3-14(4-6-15)20(31)29-7-10-32-11-8-29/h1-6,9,12H,7-8,10-11,13H2,(H,26,30).
What are the key properties of 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 492.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 1152616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).