4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide

C21H17F3N2O5S2 — CID 46246301

IUPAC4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H17F3N2O5S2/c22-21(23,24)31-17-9-7-16(8-10-17)26-20(28)14-3-5-15(6-4-14)25-18(27)11-13-33(29,30)19-2-1-12-32-19/h1-10,12H,11,13H2,(H,25,27)(H,26,28)
InChIKeyQAFSRYQMEOBAAX-UHFFFAOYSA-N
MW498.50 g/mol
LogP4.70
Rot. Bonds8

About 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide

4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 46246301) has the molecular formula C21H17F3N2O5S2 and a molecular weight of 498.50 g/mol. Its IUPAC name is 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID46246301
Molecular FormulaC21H17F3N2O5S2
Molecular Weight498.50 g/mol
Exact Mass498.05
IUPAC Name4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H17F3N2O5S2/c22-21(23,24)31-17-9-7-16(8-10-17)26-20(28)14-3-5-15(6-4-14)25-18(27)11-13-33(29,30)19-2-1-12-32-19/h1-10,12H,11,13H2,(H,25,27)(H,26,28)
InChIKeyQAFSRYQMEOBAAX-UHFFFAOYSA-N
XLogP4.70
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[4-(3-thiophen-2-ylsulfonylpropanoylamino)benzoyl]amino]benzoate
CID 46246295
N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 46246296
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564
N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 22427359
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 22427360
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699

Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 46246301) is 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is QAFSRYQMEOBAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O5S2/c22-21(23,24)31-17-9-7-16(8-10-17)26-20(28)14-3-5-15(6-4-14)25-18(27)11-13-33(29,30)19-2-1-12-32-19/h1-10,12H,11,13H2,(H,25,27)(H,26,28).
What are the key properties of 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 498.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 46246301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).