2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H20ClF3N4O4S — CID 24507817

IUPAC2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)no1
InChIInChI=1S/C18H20ClF3N4O4S/c1-11-9-16(24-30-11)23-17(27)12(2)25-5-7-26(8-6-25)31(28,29)13-3-4-15(19)14(10-13)18(20,21)22/h3-4,9-10,12H,5-8H2,1-2H3,(H,23,24,27)
InChIKeyHCYUGKKOBWRJFT-UHFFFAOYSA-N
MW480.90 g/mol
LogP2.99
Rot. Bonds5

About 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 24507817) has the molecular formula C18H20ClF3N4O4S and a molecular weight of 480.90 g/mol. Its IUPAC name is 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID24507817
Molecular FormulaC18H20ClF3N4O4S
Molecular Weight480.90 g/mol
Exact Mass480.08
IUPAC Name2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)no1
InChIInChI=1S/C18H20ClF3N4O4S/c1-11-9-16(24-30-11)23-17(27)12(2)25-5-7-26(8-6-25)31(28,29)13-3-4-15(19)14(10-13)18(20,21)22/h3-4,9-10,12H,5-8H2,1-2H3,(H,23,24,27)
InChIKeyHCYUGKKOBWRJFT-UHFFFAOYSA-N
XLogP2.99
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.90
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide 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

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492975
3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27635164
1-(azepan-1-yl)-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 46631714
(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26301263
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
(2R)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 97072858
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 55354654
(2R)-N-cyclopropyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8710306
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560998
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30728174
2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17439461
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 24507817) is 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)no1.
What is the InChIKey of 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is HCYUGKKOBWRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4O4S/c1-11-9-16(24-30-11)23-17(27)12(2)25-5-7-26(8-6-25)31(28,29)13-3-4-15(19)14(10-13)18(20,21)22/h3-4,9-10,12H,5-8H2,1-2H3,(H,23,24,27).
What are the key properties of 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 480.90 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 24507817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).