2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

C17H17F3N2O4S — CID 22304612

IUPAC2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c(S(C)(=O)=O)c1
InChIInChI=1S/C17H17F3N2O4S/c1-26-13-6-7-14(15(9-13)27(2,24)25)21-10-16(23)22-12-5-3-4-11(8-12)17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyKKLROMVDMJLNHL-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 22304612) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID22304612
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c(S(C)(=O)=O)c1
InChIInChI=1S/C17H17F3N2O4S/c1-26-13-6-7-14(15(9-13)27(2,24)25)21-10-16(23)22-12-5-3-4-11(8-12)17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyKKLROMVDMJLNHL-UHFFFAOYSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1488181
N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide
CID 22304441
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 22305201
3-[[2-(2-methoxyanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54817220
N-(3-methoxyphenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 33164006
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 17192578
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 22304612) is 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c(S(C)(=O)=O)c1.
What is the InChIKey of 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KKLROMVDMJLNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-26-13-6-7-14(15(9-13)27(2,24)25)21-10-16(23)22-12-5-3-4-11(8-12)17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 402.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22304612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).