2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide

C18H18ClF3N2O3S — CID 22193721

IUPAC2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-11-6-12(2)8-14(7-11)23-17(25)10-24(28(3,26)27)16-9-13(18(20,21)22)4-5-15(16)19/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyXKUBQUAMGCPKQR-UHFFFAOYSA-N
MW434.87 g/mol
LogP4.38
Rot. Bonds5

About 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 22193721) has the molecular formula C18H18ClF3N2O3S and a molecular weight of 434.87 g/mol. Its IUPAC name is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide
PubChem CID22193721
Molecular FormulaC18H18ClF3N2O3S
Molecular Weight434.87 g/mol
Exact Mass434.07
IUPAC Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-11-6-12(2)8-14(7-11)23-17(25)10-24(28(3,26)27)16-9-13(18(20,21)22)4-5-15(16)19/h4-9H,10H2,1-3H3,(H,23,25)
InChIKeyXKUBQUAMGCPKQR-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 1320398
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880933
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 43908434
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 22193695
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 43882172
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43896298
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92671427
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126270431
N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157532
N-[1-(3-bromophenyl)ethylideneamino]-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 4242485

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide (CID 22193721) is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is XKUBQUAMGCPKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O3S/c1-11-6-12(2)8-14(7-11)23-17(25)10-24(28(3,26)27)16-9-13(18(20,21)22)4-5-15(16)19/h4-9H,10H2,1-3H3,(H,23,25).
What are the key properties of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide?
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 434.87 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 22193721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).