5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide

C21H26N4O4S2 — CID 55573363

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(CSc3nccn3C)o2)cc1
InChIInChI=1S/C21H26N4O4S2/c1-15(2)24-31(27,28)14-17-6-4-16(5-7-17)12-23-20(26)19-9-8-18(29-19)13-30-21-22-10-11-25(21)3/h4-11,15,24H,12-14H2,1-3H3,(H,23,26)
InChIKeyGSVCSPRHXDQGHP-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.06
Rot. Bonds10

About 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 55573363) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID55573363
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(CSc3nccn3C)o2)cc1
InChIInChI=1S/C21H26N4O4S2/c1-15(2)24-31(27,28)14-17-6-4-16(5-7-17)12-23-20(26)19-9-8-18(29-19)13-30-21-22-10-11-25(21)3/h4-11,15,24H,12-14H2,1-3H3,(H,23,26)
InChIKeyGSVCSPRHXDQGHP-UHFFFAOYSA-N
XLogP3.06
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]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

N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
N-[[4-(difluoromethoxy)phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35412214
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60515907
N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060085
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 51087547
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118
N-(1-benzofuran-2-ylmethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 87018610
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 166189885
2-[[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-propan-2-ylamino]acetic acid
CID 120580844

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide (CID 55573363) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(CSc3nccn3C)o2)cc1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is GSVCSPRHXDQGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c1-15(2)24-31(27,28)14-17-6-4-16(5-7-17)12-23-20(26)19-9-8-18(29-19)13-30-21-22-10-11-25(21)3/h4-11,15,24H,12-14H2,1-3H3,(H,23,26).
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 55573363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).