5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide

C21H29N3O5S — CID 56512421

IUPAC5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1
InChIInChI=1S/C21H29N3O5S/c1-7-24(14-15-8-10-16(11-9-15)19(25)23(5)6)20(26)17-12-13-18(29-17)30(27,28)22-21(2,3)4/h8-13,22H,7,14H2,1-6H3
InChIKeyNGIKXJKCRQNHEH-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.72
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide

5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide (PubChem CID 56512421) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide
PubChem CID56512421
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1
InChIInChI=1S/C21H29N3O5S/c1-7-24(14-15-8-10-16(11-9-15)19(25)23(5)6)20(26)17-12-13-18(29-17)30(27,28)22-21(2,3)4/h8-13,22H,7,14H2,1-6H3
InChIKeyNGIKXJKCRQNHEH-UHFFFAOYSA-N
XLogP2.72
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-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

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide (CID 56512421) is 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide?
The InChIKey is NGIKXJKCRQNHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-7-24(14-15-8-10-16(11-9-15)19(25)23(5)6)20(26)17-12-13-18(29-17)30(27,28)22-21(2,3)4/h8-13,22H,7,14H2,1-6H3.
What are the key properties of 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 56512421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).