N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide

C19H20F3N3OS — CID 71797067

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)16-12-15(13-6-7-13)24-17(25-16)8-10-23-18(26)9-11-27-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,23,26)
InChIKeyKHOKZVQYRIGAFV-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.21
Rot. Bonds8

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide (PubChem CID 71797067) has the molecular formula C19H20F3N3OS and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide
PubChem CID71797067
Molecular FormulaC19H20F3N3OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)16-12-15(13-6-7-13)24-17(25-16)8-10-23-18(26)9-11-27-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,23,26)
InChIKeyKHOKZVQYRIGAFV-UHFFFAOYSA-N
XLogP4.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-ethoxyacetamide
CID 71797031
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 71797087
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78786041
N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide
CID 78792083
3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 51072652
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
N-[2-(oxan-4-ylsulfanyl)ethyl]-3-phenylsulfanylpropanamide
CID 86265193
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91777835
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30209739
N-but-3-ynyl-3-phenylsulfanylpropanamide
CID 90537944

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide (CID 71797067) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCCc1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is KHOKZVQYRIGAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3OS/c20-19(21,22)16-12-15(13-6-7-13)24-17(25-16)8-10-23-18(26)9-11-27-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,23,26).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 395.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71797067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).