N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C24H24F3N3O4S2 — CID 4113188

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H24F3N3O4S2/c25-24(26,27)18-5-2-6-19(15-18)29-36(32,33)20-7-1-4-17(14-20)23(31)28-16-21(22-8-3-13-35-22)30-9-11-34-12-10-30/h1-8,13-15,21,29H,9-12,16H2,(H,28,31)
InChIKeyMRRCCVKWLHQLJB-UHFFFAOYSA-N
MW539.60 g/mol
LogP4.37
Rot. Bonds8

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 4113188) has the molecular formula C24H24F3N3O4S2 and a molecular weight of 539.60 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID4113188
Molecular FormulaC24H24F3N3O4S2
Molecular Weight539.60 g/mol
Exact Mass539.12
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H24F3N3O4S2/c25-24(26,27)18-5-2-6-19(15-18)29-36(32,33)20-7-1-4-17(14-20)23(31)28-16-21(22-8-3-13-35-22)30-9-11-34-12-10-30/h1-8,13-15,21,29H,9-12,16H2,(H,28,31)
InChIKeyMRRCCVKWLHQLJB-UHFFFAOYSA-N
XLogP4.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzylsulfamoyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2315122
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3-acetamido-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
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N-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
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N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
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3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
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N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 4113188) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is O=C(NCC(c1cccs1)N1CCOCC1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is MRRCCVKWLHQLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4S2/c25-24(26,27)18-5-2-6-19(15-18)29-36(32,33)20-7-1-4-17(14-20)23(31)28-16-21(22-8-3-13-35-22)30-9-11-34-12-10-30/h1-8,13-15,21,29H,9-12,16H2,(H,28,31).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 539.60 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 4113188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).