5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide

C21H20F3N3O6S — CID 55782285

IUPAC5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)o1
InChIInChI=1S/C21H20F3N3O6S/c1-20(2,3)27-34(30,31)17-7-6-16(33-17)19(29)26-15-5-4-13(10-14(15)21(22,23)24)25-18(28)12-8-9-32-11-12/h4-11,27H,1-3H3,(H,25,28)(H,26,29)
InChIKeyOFYBQALKWIKDRL-UHFFFAOYSA-N
MW499.47 g/mol
LogP4.47
Rot. Bonds6

About 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55782285) has the molecular formula C21H20F3N3O6S and a molecular weight of 499.47 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55782285
Molecular FormulaC21H20F3N3O6S
Molecular Weight499.47 g/mol
Exact Mass499.10
IUPAC Name5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)o1
InChIInChI=1S/C21H20F3N3O6S/c1-20(2,3)27-34(30,31)17-7-6-16(33-17)19(29)26-15-5-4-13(10-14(15)21(22,23)24)25-18(28)12-8-9-32-11-12/h4-11,27H,1-3H3,(H,25,28)(H,26,29)
InChIKeyOFYBQALKWIKDRL-UHFFFAOYSA-N
XLogP4.47
TPSA130.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313
N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782284
N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782218
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78886996
N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
CID 38703983
N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 86847265
N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781962
N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781872
N-[4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782409

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55782285) is 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is OFYBQALKWIKDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O6S/c1-20(2,3)27-34(30,31)17-7-6-16(33-17)19(29)26-15-5-4-13(10-14(15)21(22,23)24)25-18(28)12-8-9-32-11-12/h4-11,27H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 499.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55782285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).