5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C21H19F3N2O4S2 — CID 10299704

IUPAC5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)NCCc2cccs2)c1
InChIInChI=1S/C21H19F3N2O4S2/c1-30-15-7-8-19(18(13-15)20(27)25-10-9-16-5-3-11-31-16)26-32(28,29)17-6-2-4-14(12-17)21(22,23)24/h2-8,11-13,26H,9-10H2,1H3,(H,25,27)
InChIKeyLOCGJCDRLHLIFW-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.55
Rot. Bonds8

About 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 10299704) has the molecular formula C21H19F3N2O4S2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID10299704
Molecular FormulaC21H19F3N2O4S2
Molecular Weight484.52 g/mol
Exact Mass484.07
IUPAC Name5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)NCCc2cccs2)c1
InChIInChI=1S/C21H19F3N2O4S2/c1-30-15-7-8-19(18(13-15)20(27)25-10-9-16-5-3-11-31-16)26-32(28,29)17-6-2-4-14(12-17)21(22,23)24/h2-8,11-13,26H,9-10H2,1H3,(H,25,27)
InChIKeyLOCGJCDRLHLIFW-UHFFFAOYSA-N
XLogP4.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24628332
5-methyl-N-(2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36701413
N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 78843246
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 7603968
N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide
CID 174746651
N-[(4-methoxyphenyl)methyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 17474210
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
methyl 5-tert-butyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 4994942
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46391720
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 35990962

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 10299704) is 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)NCCc2cccs2)c1.
What is the InChIKey of 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is LOCGJCDRLHLIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4S2/c1-30-15-7-8-19(18(13-15)20(27)25-10-9-16-5-3-11-31-16)26-32(28,29)17-6-2-4-14(12-17)21(22,23)24/h2-8,11-13,26H,9-10H2,1H3,(H,25,27).
What are the key properties of 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 484.52 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 10299704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).