N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

C17H17F3N2O3S — CID 1095247

IUPACN-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F3N2O3S/c1-12-5-3-7-14(9-12)21-16(23)11-22(26(2,24)25)15-8-4-6-13(10-15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyQFLWXVUIIQXSDI-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.42
Rot. Bonds5

About N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 1095247) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID1095247
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F3N2O3S/c1-12-5-3-7-14(9-12)21-16(23)11-22(26(2,24)25)15-8-4-6-13(10-15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyQFLWXVUIIQXSDI-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 1095247) is N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is Cc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is QFLWXVUIIQXSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-12-5-3-7-14(9-12)21-16(23)11-22(26(2,24)25)15-8-4-6-13(10-15)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 386.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 1095247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).