2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide

C19H21F3N2O5S — CID 30256407

IUPAC2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C19H21F3N2O5S/c1-23(2)18(25)12-24(14-7-5-6-13(10-14)19(20,21)22)30(26,27)15-8-9-16(28-3)17(11-15)29-4/h5-11H,12H2,1-4H3
InChIKeyWBHGBFURTWKOEF-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.01
Rot. Bonds7

About 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide

2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide (PubChem CID 30256407) has the molecular formula C19H21F3N2O5S and a molecular weight of 446.45 g/mol. Its IUPAC name is 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
PubChem CID30256407
Molecular FormulaC19H21F3N2O5S
Molecular Weight446.45 g/mol
Exact Mass446.11
IUPAC Name2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C19H21F3N2O5S/c1-23(2)18(25)12-24(14-7-5-6-13(10-14)19(20,21)22)30(26,27)15-8-9-16(28-3)17(11-15)29-4/h5-11H,12H2,1-4H3
InChIKeyWBHGBFURTWKOEF-UHFFFAOYSA-N
XLogP3.01
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[N-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 100543118
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 30257511
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43899593
N-(3-acetylphenyl)-2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43899989
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43900412
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 43899650
N-[4-(cyanomethyl)phenyl]-2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43899594
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1099952
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43900572
N-[3-(4-chlorophenyl)propyl]-2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43901074
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 43901277
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 43899804

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide (CID 30256407) is 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide is COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The InChIKey is WBHGBFURTWKOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O5S/c1-23(2)18(25)12-24(14-7-5-6-13(10-14)19(20,21)22)30(26,27)15-8-9-16(28-3)17(11-15)29-4/h5-11H,12H2,1-4H3.
What are the key properties of 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide has a molecular weight of 446.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 30256407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).