2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide

C27H26ClF3N2O4S — CID 43895071

IUPAC2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC3CCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H26ClF3N2O4S/c1-18-6-13-23(14-7-18)38(35,36)33(20-10-15-25(28)24(16-20)27(29,30)31)17-26(34)32-19-8-11-22(12-9-19)37-21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H,32,34)
InChIKeyYYUYTUFMJYGFNO-UHFFFAOYSA-N
MW567.03 g/mol
LogP6.82
Rot. Bonds8

About 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide

2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide (PubChem CID 43895071) has the molecular formula C27H26ClF3N2O4S and a molecular weight of 567.03 g/mol. Its IUPAC name is 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide
PubChem CID43895071
Molecular FormulaC27H26ClF3N2O4S
Molecular Weight567.03 g/mol
Exact Mass566.13
IUPAC Name2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC3CCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H26ClF3N2O4S/c1-18-6-13-23(14-7-18)38(35,36)33(20-10-15-25(28)24(16-20)27(29,30)31)17-26(34)32-19-8-11-22(12-9-19)37-21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H,32,34)
InChIKeyYYUYTUFMJYGFNO-UHFFFAOYSA-N
XLogP6.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.03
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 51344971
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344242
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51344097
N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 30227923
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344429
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881923
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methylphenyl)acetamide
CID 1372309
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916915
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43909830
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 126131340
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-methylphenyl)acetamide
CID 30173099
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126411792

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide?
The IUPAC name of 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide (CID 43895071) is 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC3CCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide?
The InChIKey is YYUYTUFMJYGFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF3N2O4S/c1-18-6-13-23(14-7-18)38(35,36)33(20-10-15-25(28)24(16-20)27(29,30)31)17-26(34)32-19-8-11-22(12-9-19)37-21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H,32,34).
What are the key properties of 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide?
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide has a molecular weight of 567.03 g/mol, XLogP of 6.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide is sourced from PubChem (CID 43895071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).