N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide

C20H23F3N2O3S — CID 142673074

IUPACN,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O3S/c1-4-24(5-2)19(26)14-25(17-10-6-15(3)7-11-17)29(27,28)18-12-8-16(9-13-18)20(21,22)23/h6-13H,4-5,14H2,1-3H3
InChIKeyZMTMRFYFTQWUQD-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.08
Rot. Bonds7

About N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide

N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide (PubChem CID 142673074) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
PubChem CID142673074
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC NameN,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O3S/c1-4-24(5-2)19(26)14-25(17-10-6-15(3)7-11-17)29(27,28)18-12-8-16(9-13-18)20(21,22)23/h6-13H,4-5,14H2,1-3H3
InChIKeyZMTMRFYFTQWUQD-UHFFFAOYSA-N
XLogP4.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
CID 10409682
2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 163543244
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide
CID 10388987
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126413999
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide
CID 3109560
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
N,N-diethyl-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 3971622
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126324001
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
N-benzyl-2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N-(2-cyanoethyl)acetamide
CID 58978395

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide (CID 142673074) is N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide is CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide?
The InChIKey is ZMTMRFYFTQWUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-4-24(5-2)19(26)14-25(17-10-6-15(3)7-11-17)29(27,28)18-12-8-16(9-13-18)20(21,22)23/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide?
N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide has a molecular weight of 428.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide is sourced from PubChem (CID 142673074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).