N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide

C17H20F3N3OS — CID 21381132

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)NC1CC2CCC1C2
InChIInChI=1S/C17H20F3N3OS/c18-17(19,20)15-11-2-1-3-12(11)22-16(23-15)25-8-14(24)21-13-7-9-4-5-10(13)6-9/h9-10,13H,1-8H2,(H,21,24)
InChIKeySILUDDDRUBKGQI-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.38
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 21381132) has the molecular formula C17H20F3N3OS and a molecular weight of 371.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID21381132
Molecular FormulaC17H20F3N3OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)NC1CC2CCC1C2
InChIInChI=1S/C17H20F3N3OS/c18-17(19,20)15-11-2-1-3-12(11)22-16(23-15)25-8-14(24)21-13-7-9-4-5-10(13)6-9/h9-10,13H,1-8H2,(H,21,24)
InChIKeySILUDDDRUBKGQI-UHFFFAOYSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide (CID 21381132) is N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide is O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is SILUDDDRUBKGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3OS/c18-17(19,20)15-11-2-1-3-12(11)22-16(23-15)25-8-14(24)21-13-7-9-4-5-10(13)6-9/h9-10,13H,1-8H2,(H,21,24).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 371.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 21381132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).