N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide

C16H15F3N2O3S — CID 113157523

IUPACN-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1F)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-10-5-3-4-6-12(10)20-14(22)9-21(25(2,23)24)13-8-7-11(17)15(18)16(13)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyMHSBMCRALNFWRV-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.82
Rot. Bonds5

About N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide

N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide (PubChem CID 113157523) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
PubChem CID113157523
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1F)S(C)(=O)=O
InChIInChI=1S/C16H15F3N2O3S/c1-10-5-3-4-6-12(10)20-14(22)9-21(25(2,23)24)13-8-7-11(17)15(18)16(13)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyMHSBMCRALNFWRV-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157538
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
N-(3,5-dimethylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157532
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
methyl 2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155909
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide (CID 113157523) is N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide is Cc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1F)S(C)(=O)=O.
What is the InChIKey of N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is MHSBMCRALNFWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-10-5-3-4-6-12(10)20-14(22)9-21(25(2,23)24)13-8-7-11(17)15(18)16(13)19/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 372.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113157523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).