5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide

C18H22FN3O5S — CID 55975340

IUPAC5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccccc2F)o1
InChIInChI=1S/C18H22FN3O5S/c1-18(2,3)22-28(25,26)15-9-8-14(27-15)17(24)21-11-10-20-16(23)12-6-4-5-7-13(12)19/h4-9,22H,10-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNHGYYRAKRVSYJQ-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.66
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 55975340) has the molecular formula C18H22FN3O5S and a molecular weight of 411.46 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID55975340
Molecular FormulaC18H22FN3O5S
Molecular Weight411.46 g/mol
Exact Mass411.13
IUPAC Name5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccccc2F)o1
InChIInChI=1S/C18H22FN3O5S/c1-18(2,3)22-28(25,26)15-9-8-14(27-15)17(24)21-11-10-20-16(23)12-6-4-5-7-13(12)19/h4-9,22H,10-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNHGYYRAKRVSYJQ-UHFFFAOYSA-N
XLogP1.66
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide (CID 55975340) is 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccccc2F)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is NHGYYRAKRVSYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O5S/c1-18(2,3)22-28(25,26)15-9-8-14(27-15)17(24)21-11-10-20-16(23)12-6-4-5-7-13(12)19/h4-9,22H,10-11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 55975340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).