2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

C18H19F3N2O4S — CID 1248291

IUPAC2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O4S/c1-12-7-8-15(27-3)16(9-12)28(25,26)23(2)11-17(24)22-14-6-4-5-13(10-14)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyJHVCQQARTNKNSU-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.28
Rot. Bonds6

About 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1248291) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1248291
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O4S/c1-12-7-8-15(27-3)16(9-12)28(25,26)23(2)11-17(24)22-14-6-4-5-13(10-14)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyJHVCQQARTNKNSU-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 45372412
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1294281
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796945
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1363486
N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108955782
N-(2,5-dimethylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 5006626
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 100781494
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 1095807
N-(4-ethoxyphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 2989117
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30168402
N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372690
N-(3-chloro-2-methylphenyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 4572236

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1248291) is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JHVCQQARTNKNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-12-7-8-15(27-3)16(9-12)28(25,26)23(2)11-17(24)22-14-6-4-5-13(10-14)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 416.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1248291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).