N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide

C19H17ClF3N3OS — CID 17096136

IUPACN-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide
SMILESO=C(CSC1=NC(c2ccccc2)CC(C(F)(F)F)N1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClF3N3OS/c20-13-6-8-14(9-7-13)24-17(27)11-28-18-25-15(12-4-2-1-3-5-12)10-16(26-18)19(21,22)23/h1-9,15-16H,10-11H2,(H,24,27)(H,25,26)
InChIKeyBYHXSIPDCNVOCY-UHFFFAOYSA-N
MW427.88 g/mol
LogP5.03
Rot. Bonds4

About N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide

N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 17096136) has the molecular formula C19H17ClF3N3OS and a molecular weight of 427.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide
PubChem CID17096136
Molecular FormulaC19H17ClF3N3OS
Molecular Weight427.88 g/mol
Exact Mass427.07
IUPAC NameN-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide
SMILESO=C(CSC1=NC(c2ccccc2)CC(C(F)(F)F)N1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClF3N3OS/c20-13-6-8-14(9-7-13)24-17(27)11-28-18-25-15(12-4-2-1-3-5-12)10-16(26-18)19(21,22)23/h1-9,15-16H,10-11H2,(H,24,27)(H,25,26)
InChIKeyBYHXSIPDCNVOCY-UHFFFAOYSA-N
XLogP5.03
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.88
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-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

Related Compounds

N-naphthalen-2-yl-2-[[(4S)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 6554448
N-(4-chlorophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571668
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
(5R,7S)-3-chloro-N-(4-chlorophenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1126571
3-chloro-N-(4-chlorophenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133669
N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 21215184
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide
CID 55489531
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide
CID 166331146
2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
CID 40571674

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide (CID 17096136) is N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide is O=C(CSC1=NC(c2ccccc2)CC(C(F)(F)F)N1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is BYHXSIPDCNVOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3OS/c20-13-6-8-14(9-7-13)24-17(27)11-28-18-25-15(12-4-2-1-3-5-12)10-16(26-18)19(21,22)23/h1-9,15-16H,10-11H2,(H,24,27)(H,25,26).
What are the key properties of N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 427.88 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 17096136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).