3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C20H20ClF3N2O4S — CID 24983046

IUPAC3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClF3N2O4S/c1-2-26(13-18(27)25-17-6-4-3-5-16(17)20(22,23)24)19(28)11-12-31(29,30)15-9-7-14(21)8-10-15/h3-10H,2,11-13H2,1H3,(H,25,27)
InChIKeyZIDUCJVUAWYXFS-UHFFFAOYSA-N
MW476.90 g/mol
LogP4.01
Rot. Bonds8

About 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 24983046) has the molecular formula C20H20ClF3N2O4S and a molecular weight of 476.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID24983046
Molecular FormulaC20H20ClF3N2O4S
Molecular Weight476.90 g/mol
Exact Mass476.08
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClF3N2O4S/c1-2-26(13-18(27)25-17-6-4-3-5-16(17)20(22,23)24)19(28)11-12-31(29,30)15-9-7-14(21)8-10-15/h3-10H,2,11-13H2,1H3,(H,25,27)
InChIKeyZIDUCJVUAWYXFS-UHFFFAOYSA-N
XLogP4.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide
CID 44569508
N-[2-(Benzylsulfanyl)ethyl]-2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetamide
CID 2280169
N-(2-{[(3-Chlorophenyl)methyl]sulfanyl}ethyl)-2-(N-phenylmethanesulfonamido)propanamide
CID 2910977
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3142633
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
N-(3-chloro-4-methylphenyl)-2-(1,1,4-trioxo-2,3-dihydro-1lambda6,5-benzothiazepin-5-yl)acetamide
CID 20890329
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide
CID 24856279
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
CID 24982956
2-[N-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(3,4-difluorophenyl)methyl]acetamide
CID 91800779
N-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-2-[4-fluoro(methylsulfonyl)anilino]acetamide
CID 1810969
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 15989038

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 24983046) is 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is ZIDUCJVUAWYXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O4S/c1-2-26(13-18(27)25-17-6-4-3-5-16(17)20(22,23)24)19(28)11-12-31(29,30)15-9-7-14(21)8-10-15/h3-10H,2,11-13H2,1H3,(H,25,27).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 476.90 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 24983046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).