N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide

C25H24N4O5S — CID 166200883

IUPACN-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H24N4O5S/c1-16-14-22(17(2)29(16)15-18-5-11-21(12-6-18)35(26,32)33)24(30)27-19-7-9-20(10-8-19)28-25(31)23-4-3-13-34-23/h3-14H,15H2,1-2H3,(H,27,30)(H,28,31)(H2,26,32,33)
InChIKeyWLUMUMKJNUURIS-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.90
Rot. Bonds7

About N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide

N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide (PubChem CID 166200883) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
PubChem CID166200883
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC NameN-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H24N4O5S/c1-16-14-22(17(2)29(16)15-18-5-11-21(12-6-18)35(26,32)33)24(30)27-19-7-9-20(10-8-19)28-25(31)23-4-3-13-34-23/h3-14H,15H2,1-2H3,(H,27,30)(H,28,31)(H2,26,32,33)
InChIKeyWLUMUMKJNUURIS-UHFFFAOYSA-N
XLogP3.90
TPSA136.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55528829
2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid
CID 7131107
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18206661
2-(furan-2-carbonylamino)-N-(4-sulfamoylphenyl)-1,3-oxazole-4-carboxamide
CID 90515186
methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 60555964
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 32967693
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857
N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797230

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide (CID 166200883) is N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is WLUMUMKJNUURIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-16-14-22(17(2)29(16)15-18-5-11-21(12-6-18)35(26,32)33)24(30)27-19-7-9-20(10-8-19)28-25(31)23-4-3-13-34-23/h3-14H,15H2,1-2H3,(H,27,30)(H,28,31)(H2,26,32,33).
What are the key properties of N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide?
N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 166200883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).