2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide

C18H18ClF3N2O3S — CID 2264446

IUPAC2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H18ClF3N2O3S/c1-28(26,27)24(16-11-14(18(20,21)22)7-8-15(16)19)12-17(25)23-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyNOXMIGIKIIGSLQ-UHFFFAOYSA-N
MW434.87 g/mol
LogP3.48
Rot. Bonds7

About 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide (PubChem CID 2264446) 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-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
PubChem CID2264446
Molecular FormulaC18H18ClF3N2O3S
Molecular Weight434.87 g/mol
Exact Mass434.07
IUPAC Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H18ClF3N2O3S/c1-28(26,27)24(16-11-14(18(20,21)22)7-8-15(16)19)12-17(25)23-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyNOXMIGIKIIGSLQ-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide (CID 2264446) is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide?
The InChIKey is NOXMIGIKIIGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O3S/c1-28(26,27)24(16-11-14(18(20,21)22)7-8-15(16)19)12-17(25)23-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,23,25).
What are the key properties of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide?
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide has a molecular weight of 434.87 g/mol, XLogP of 3.48, 7 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 2264446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).