2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

C24H23F3N2O5S — CID 4287672

IUPAC2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)c1
InChIInChI=1S/C24H23F3N2O5S/c1-33-20-12-13-21(34-2)22(14-20)35(31,32)29(15-17-6-4-3-5-7-17)16-23(30)28-19-10-8-18(9-11-19)24(25,26)27/h3-14H,15-16H2,1-2H3,(H,28,30)
InChIKeyKDOBUOVOGVPNGC-UHFFFAOYSA-N
MW508.52 g/mol
LogP4.55
Rot. Bonds9

About 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 4287672) has the molecular formula C24H23F3N2O5S and a molecular weight of 508.52 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID4287672
Molecular FormulaC24H23F3N2O5S
Molecular Weight508.52 g/mol
Exact Mass508.13
IUPAC Name2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)c1
InChIInChI=1S/C24H23F3N2O5S/c1-33-20-12-13-21(34-2)22(14-20)35(31,32)29(15-17-6-4-3-5-7-17)16-23(30)28-19-10-8-18(9-11-19)24(25,26)27/h3-14H,15-16H2,1-2H3,(H,28,30)
InChIKeyKDOBUOVOGVPNGC-UHFFFAOYSA-N
XLogP4.55
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 126383816
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
CID 3646997
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 3275568
methyl 4-[[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 2236354
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide
CID 4693114
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796945

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 4287672) is 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)c1.
What is the InChIKey of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KDOBUOVOGVPNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O5S/c1-33-20-12-13-21(34-2)22(14-20)35(31,32)29(15-17-6-4-3-5-7-17)16-23(30)28-19-10-8-18(9-11-19)24(25,26)27/h3-14H,15-16H2,1-2H3,(H,28,30).
What are the key properties of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 508.52 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4287672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).