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

C17H17F3N2O4S — CID 2272440

IUPACN-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F3N2O4S/c1-26-15-8-4-6-13(10-15)21-16(23)11-22(27(2,24)25)14-7-3-5-12(9-14)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyJTBADRDXEDFXDD-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.12
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 2272440) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID2272440
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F3N2O4S/c1-26-15-8-4-6-13(10-15)21-16(23)11-22(27(2,24)25)14-7-3-5-12(9-14)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyJTBADRDXEDFXDD-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 2272440) is N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is COc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is JTBADRDXEDFXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-26-15-8-4-6-13(10-15)21-16(23)11-22(27(2,24)25)14-7-3-5-12(9-14)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 402.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 2272440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).