N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C23H23N3O4S2 — CID 55381203

IUPACN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(C)n1Cc1cccs1
InChIInChI=1S/C23H23N3O4S2/c1-16-12-22(17(2)26(16)15-20-8-5-11-31-20)23(27)25-18-6-3-9-21(13-18)32(28,29)24-14-19-7-4-10-30-19/h3-13,24H,14-15H2,1-2H3,(H,25,27)
InChIKeyVBUDWDLZGIAVRN-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.54
Rot. Bonds8

About N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 55381203) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID55381203
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(C)n1Cc1cccs1
InChIInChI=1S/C23H23N3O4S2/c1-16-12-22(17(2)26(16)15-20-8-5-11-31-20)23(27)25-18-6-3-9-21(13-18)32(28,29)24-14-19-7-4-10-30-19/h3-13,24H,14-15H2,1-2H3,(H,25,27)
InChIKeyVBUDWDLZGIAVRN-UHFFFAOYSA-N
XLogP4.54
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 78805100
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 46798356
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55704580
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 17446637
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 32967693
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55704554
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 37359806

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 55381203) is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(C)n1Cc1cccs1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is VBUDWDLZGIAVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-16-12-22(17(2)26(16)15-20-8-5-11-31-20)23(27)25-18-6-3-9-21(13-18)32(28,29)24-14-19-7-4-10-30-19/h3-13,24H,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 55381203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).