N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide

C25H22F6N2O6S — CID 4583981

IUPACN-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C25H22F6N2O6S/c1-15-10-19(21(37-2)12-18(15)32-23(34)16-6-4-3-5-7-16)33-40(35,36)22-11-17(38-13-24(26,27)28)8-9-20(22)39-14-25(29,30)31/h3-12,33H,13-14H2,1-2H3,(H,32,34)
InChIKeyOVZWDHMKOQNYKU-UHFFFAOYSA-N
MW592.51 g/mol
LogP5.94
Rot. Bonds10

About N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide

N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide (PubChem CID 4583981) has the molecular formula C25H22F6N2O6S and a molecular weight of 592.51 g/mol. Its IUPAC name is N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
PubChem CID4583981
Molecular FormulaC25H22F6N2O6S
Molecular Weight592.51 g/mol
Exact Mass592.11
IUPAC NameN-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C25H22F6N2O6S/c1-15-10-19(21(37-2)12-18(15)32-23(34)16-6-4-3-5-7-16)33-40(35,36)22-11-17(38-13-24(26,27)28)8-9-20(22)39-14-25(29,30)31/h3-12,33H,13-14H2,1-2H3,(H,32,34)
InChIKeyOVZWDHMKOQNYKU-UHFFFAOYSA-N
XLogP5.94
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.51
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
CID 3738165
4-benzamido-5-methoxy-2-methylbenzenediazonium
CID 23558418
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[5-methoxy-2-methyl-4-(phenylcarbamoylamino)phenyl]benzamide
CID 3546373
N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 3751646
N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180524
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55508199
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
N-(2-benzamidoethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3657845
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408
N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide
CID 16551146
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide?
The IUPAC name of N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide (CID 4583981) is N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide?
The InChIKey is OVZWDHMKOQNYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6N2O6S/c1-15-10-19(21(37-2)12-18(15)32-23(34)16-6-4-3-5-7-16)33-40(35,36)22-11-17(38-13-24(26,27)28)8-9-20(22)39-14-25(29,30)31/h3-12,33H,13-14H2,1-2H3,(H,32,34).
What are the key properties of N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide?
N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide has a molecular weight of 592.51 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide is sourced from PubChem (CID 4583981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).