2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H21F3N2O3S — CID 100781494

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H21F3N2O3S/c1-4-24(28(26,27)17-10-13(2)8-9-14(17)3)12-18(25)23-16-7-5-6-15(11-16)19(20,21)22/h5-11H,4,12H2,1-3H3,(H,23,25)
InChIKeyOUNWRSWSNMHLSI-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.97
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 100781494) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID100781494
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H21F3N2O3S/c1-4-24(28(26,27)17-10-13(2)8-9-14(17)3)12-18(25)23-16-7-5-6-15(11-16)19(20,21)22/h5-11H,4,12H2,1-3H3,(H,23,25)
InChIKeyOUNWRSWSNMHLSI-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 45372412
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781224
N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781403
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1248291
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126072956
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417269
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27036482
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301
N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372690
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2119470

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 100781494) is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OUNWRSWSNMHLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-4-24(28(26,27)17-10-13(2)8-9-14(17)3)12-18(25)23-16-7-5-6-15(11-16)19(20,21)22/h5-11H,4,12H2,1-3H3,(H,23,25).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 414.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 100781494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).