2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C16H14F3N3O3S — CID 7185234

IUPAC2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)25-10-6-4-9(5-7-10)20-13(23)8-26-14-11-2-1-3-12(11)21-15(24)22-14/h4-7H,1-3,8H2,(H,20,23)(H,21,22,24)
InChIKeyOASVLJGSEWWTPP-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.89
Rot. Bonds5

About 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 7185234) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID7185234
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)25-10-6-4-9(5-7-10)20-13(23)8-26-14-11-2-1-3-12(11)21-15(24)22-14/h4-7H,1-3,8H2,(H,20,23)(H,21,22,24)
InChIKeyOASVLJGSEWWTPP-UHFFFAOYSA-N
XLogP2.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 7185234) is 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1nc(=O)[nH]c2c1CCC2)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is OASVLJGSEWWTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c17-16(18,19)25-10-6-4-9(5-7-10)20-13(23)8-26-14-11-2-1-3-12(11)21-15(24)22-14/h4-7H,1-3,8H2,(H,20,23)(H,21,22,24).
What are the key properties of 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 385.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7185234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).