N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide

C21H20F3N3O5S2 — CID 4046654

IUPACN-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide
SMILESCOc1ccc(NC(=O)CCCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C21H20F3N3O5S2/c1-31-13-7-8-14(16(11-13)32-2)25-19(28)6-4-10-34(29,30)20-26-15(17-5-3-9-33-17)12-18(27-20)21(22,23)24/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,25,28)
InChIKeyNZWVMXLBLGDBLV-UHFFFAOYSA-N
MW515.54 g/mol
LogP4.43
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide

N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide (PubChem CID 4046654) has the molecular formula C21H20F3N3O5S2 and a molecular weight of 515.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide
PubChem CID4046654
Molecular FormulaC21H20F3N3O5S2
Molecular Weight515.54 g/mol
Exact Mass515.08
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide
SMILESCOc1ccc(NC(=O)CCCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C21H20F3N3O5S2/c1-31-13-7-8-14(16(11-13)32-2)25-19(28)6-4-10-34(29,30)20-26-15(17-5-3-9-33-17)12-18(27-20)21(22,23)24/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,25,28)
InChIKeyNZWVMXLBLGDBLV-UHFFFAOYSA-N
XLogP4.43
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide 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-dimethoxyphenyl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]acetamide
CID 3145739
3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4231518
2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 1152338
N-(2,4-dimethoxyphenyl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide
CID 3442516
N-(3,4-dimethoxyphenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide
CID 4228783
N-(5-chloro-2-methoxyphenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide
CID 4228785
3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)propanamide
CID 4231520
N-(4-methoxyphenyl)-3-{[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl}propanamide
CID 11839080
N-(2-ethoxyphenyl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1152421
N-(2,4-dimethoxyphenyl)-2-(2-((4-(methylsulfonyl)phenyl)amino)thiazol-4-yl)acetamide
CID 30860022
N-(2,4-dimethoxyphenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide
CID 1140829
N-(2-methoxyphenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1152336

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide (CID 4046654) is N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide is COc1ccc(NC(=O)CCCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide?
The InChIKey is NZWVMXLBLGDBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O5S2/c1-31-13-7-8-14(16(11-13)32-2)25-19(28)6-4-10-34(29,30)20-26-15(17-5-3-9-33-17)12-18(27-20)21(22,23)24/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,25,28).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide?
N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide has a molecular weight of 515.54 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide is sourced from PubChem (CID 4046654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).