N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide

C24H22ClF3N2O5S — CID 22307667

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)c2cc(C)ccc2NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC
InChIInChI=1S/C24H22ClF3N2O5S/c1-14-4-8-18(22(10-14)36(32,33)16-6-9-20(34-2)21(12-16)35-3)29-13-23(31)30-19-11-15(24(26,27)28)5-7-17(19)25/h4-12,29H,13H2,1-3H3,(H,30,31)
InChIKeyUILCDSGGIDAGCF-UHFFFAOYSA-N
MW542.96 g/mol
LogP5.57
Rot. Bonds8

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide (PubChem CID 22307667) has the molecular formula C24H22ClF3N2O5S and a molecular weight of 542.96 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
PubChem CID22307667
Molecular FormulaC24H22ClF3N2O5S
Molecular Weight542.96 g/mol
Exact Mass542.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)c2cc(C)ccc2NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC
InChIInChI=1S/C24H22ClF3N2O5S/c1-14-4-8-18(22(10-14)36(32,33)16-6-9-20(34-2)21(12-16)35-3)29-13-23(31)30-19-11-15(24(26,27)28)5-7-17(19)25/h4-12,29H,13H2,1-3H3,(H,30,31)
InChIKeyUILCDSGGIDAGCF-UHFFFAOYSA-N
XLogP5.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.96
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45375202
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
CID 109007403
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
CID 22303801
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide
CID 22307669
2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone
CID 110824940
N-(2-benzylsulfanylethyl)-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
CID 22303802
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388597
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 2516960
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-(2-chloro-5-methylsulfonylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 17418585

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide (CID 22307667) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide is COc1ccc(S(=O)(=O)c2cc(C)ccc2NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide?
The InChIKey is UILCDSGGIDAGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O5S/c1-14-4-8-18(22(10-14)36(32,33)16-6-9-20(34-2)21(12-16)35-3)29-13-23(31)30-19-11-15(24(26,27)28)5-7-17(19)25/h4-12,29H,13H2,1-3H3,(H,30,31).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide has a molecular weight of 542.96 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide is sourced from PubChem (CID 22307667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).