N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C16H16F3N3O2S — CID 1152555

IUPACN-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCC1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)13-8-11(12-6-3-7-24-12)21-15(22-13)25-9-14(23)20-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H,20,23)
InChIKeyOQXILUIMGCQEMW-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.91
Rot. Bonds5

About N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 1152555) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID1152555
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC NameN-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCC1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)13-8-11(12-6-3-7-24-12)21-15(22-13)25-9-14(23)20-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H,20,23)
InChIKeyOQXILUIMGCQEMW-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(Furan-2-ylmethyl)-3-((4-(methyl(propyl)amino)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanamide
CID 155541857
1-(3-{[4-(2-Furyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio}propanoyl)-1,2,3,4-tetrahydroquinoline
CID 1164778
3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(3-hydroxyphenyl)propa namide
CID 1164836
Acetamide, 2-(4,6-dimethylpyrimidin-2-yl)thio-N-(2-furfuryl)-
CID 588017
N-(2-furylmethyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]propanamide
CID 653926
2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 993259
2-amino-6-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 11391964
2-amino-N-(2-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 11483771
2-amino-6-(furan-2-yl)-N-((6-(methoxymethyl)pyridin-2-yl)methyl)pyrimidine-4-carboxamide
CID 11739282
2-amino-N-(4-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 45267125
2-amino-N-(3-fluorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 45270541
N-(1,3-benzodioxol-5-yl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide
CID 647220

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 1152555) is N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is OQXILUIMGCQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c17-16(18,19)13-8-11(12-6-3-7-24-12)21-15(22-13)25-9-14(23)20-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H,20,23).
What are the key properties of N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 371.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 1152555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).