2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C24H22ClF3N2O4S — CID 3275568

IUPAC2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C24H22ClF3N2O4S/c1-16-8-11-21(34-2)22(12-16)35(32,33)30(14-17-6-4-3-5-7-17)15-23(31)29-18-9-10-20(25)19(13-18)24(26,27)28/h3-13H,14-15H2,1-2H3,(H,29,31)
InChIKeyGFHHDYJIUYMGBD-UHFFFAOYSA-N
MW526.96 g/mol
LogP5.51
Rot. Bonds8

About 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3275568) has the molecular formula C24H22ClF3N2O4S and a molecular weight of 526.96 g/mol. Its IUPAC name is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID3275568
Molecular FormulaC24H22ClF3N2O4S
Molecular Weight526.96 g/mol
Exact Mass526.09
IUPAC Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C24H22ClF3N2O4S/c1-16-8-11-21(34-2)22(12-16)35(32,33)30(14-17-6-4-3-5-7-17)15-23(31)29-18-9-10-20(25)19(13-18)24(26,27)28/h3-13H,14-15H2,1-2H3,(H,29,31)
InChIKeyGFHHDYJIUYMGBD-UHFFFAOYSA-N
XLogP5.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.96
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
methyl 4-[[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 2236354
2-[benzyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30232616
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4287672
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126063234
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547296
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 3275568) is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GFHHDYJIUYMGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O4S/c1-16-8-11-21(34-2)22(12-16)35(32,33)30(14-17-6-4-3-5-7-17)15-23(31)29-18-9-10-20(25)19(13-18)24(26,27)28/h3-13H,14-15H2,1-2H3,(H,29,31).
What are the key properties of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 526.96 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3275568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).