N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C15H13ClF3N3O3S — CID 18284884

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1cc(OC)c(NC(=O)CSc2nccc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C15H13ClF3N3O3S/c1-24-10-6-11(25-2)9(5-8(10)16)21-13(23)7-26-14-20-4-3-12(22-14)15(17,18)19/h3-6H,7H2,1-2H3,(H,21,23)
InChIKeyOFLLNAKQTOTTQR-UHFFFAOYSA-N
MW407.80 g/mol
LogP3.90
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 18284884) has the molecular formula C15H13ClF3N3O3S and a molecular weight of 407.80 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID18284884
Molecular FormulaC15H13ClF3N3O3S
Molecular Weight407.80 g/mol
Exact Mass407.03
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1cc(OC)c(NC(=O)CSc2nccc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C15H13ClF3N3O3S/c1-24-10-6-11(25-2)9(5-8(10)16)21-13(23)7-26-14-20-4-3-12(22-14)15(17,18)19/h3-6H,7H2,1-2H3,(H,21,23)
InChIKeyOFLLNAKQTOTTQR-UHFFFAOYSA-N
XLogP3.90
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide 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-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 46519126
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1152330
N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 134026438
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26877145
N-propan-2-yl-2-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzamide
CID 36991749
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 6403399
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 26877190
N-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17024194
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 24633380
N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 24634175
methyl 1-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]cyclohexane-1-carboxylate
CID 71891399
N-(3-methylbutan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 46518668

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 18284884) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is COc1cc(OC)c(NC(=O)CSc2nccc(C(F)(F)F)n2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is OFLLNAKQTOTTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3S/c1-24-10-6-11(25-2)9(5-8(10)16)21-13(23)7-26-14-20-4-3-12(22-14)15(17,18)19/h3-6H,7H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 407.80 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18284884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).