5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide

C22H29FN4O6S — CID 55784871

IUPAC5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)o1
InChIInChI=1S/C22H29FN4O6S/c1-22(2,3)26-34(30,31)20-7-6-18(33-20)21(29)24-15-4-5-16(23)17(14-15)25-19(28)8-9-27-10-12-32-13-11-27/h4-7,14,26H,8-13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyVWBWTDOBRDMEOA-UHFFFAOYSA-N
MW496.56 g/mol
LogP2.41
Rot. Bonds8

About 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide (PubChem CID 55784871) has the molecular formula C22H29FN4O6S and a molecular weight of 496.56 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide
PubChem CID55784871
Molecular FormulaC22H29FN4O6S
Molecular Weight496.56 g/mol
Exact Mass496.18
IUPAC Name5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)o1
InChIInChI=1S/C22H29FN4O6S/c1-22(2,3)26-34(30,31)20-7-6-18(33-20)21(29)24-15-4-5-16(23)17(14-15)25-19(28)8-9-27-10-12-32-13-11-27/h4-7,14,26H,8-13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyVWBWTDOBRDMEOA-UHFFFAOYSA-N
XLogP2.41
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55784551
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55784838
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
CID 55785751
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 60554945
7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
CID 55784588
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide (CID 55784871) is 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is VWBWTDOBRDMEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O6S/c1-22(2,3)26-34(30,31)20-7-6-18(33-20)21(29)24-15-4-5-16(23)17(14-15)25-19(28)8-9-27-10-12-32-13-11-27/h4-7,14,26H,8-13H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 496.56 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55784871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).