5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide

C24H25N3O5S — CID 37359806

IUPAC5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C24H25N3O5S/c1-17-9-10-21(33(30,31)25-15-20-7-4-12-32-20)14-22(17)24(29)26-19-6-2-5-18(13-19)16-27-11-3-8-23(27)28/h2,4-7,9-10,12-14,25H,3,8,11,15-16H2,1H3,(H,26,29)
InChIKeyJTYNEPQCFHUUHD-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.44
Rot. Bonds8

About 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide (PubChem CID 37359806) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
PubChem CID37359806
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C24H25N3O5S/c1-17-9-10-21(33(30,31)25-15-20-7-4-12-32-20)14-22(17)24(29)26-19-6-2-5-18(13-19)16-27-11-3-8-23(27)28/h2,4-7,9-10,12-14,25H,3,8,11,15-16H2,1H3,(H,26,29)
InChIKeyJTYNEPQCFHUUHD-UHFFFAOYSA-N
XLogP3.44
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412122
3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062838
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide
CID 167784128
5-(benzylsulfamoyl)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
CID 46528607
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771
5-amino-2-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 120621582
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55981661
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
CID 30873494
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(furan-2-ylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46446715

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide (CID 37359806) is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is JTYNEPQCFHUUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-17-9-10-21(33(30,31)25-15-20-7-4-12-32-20)14-22(17)24(29)26-19-6-2-5-18(13-19)16-27-11-3-8-23(27)28/h2,4-7,9-10,12-14,25H,3,8,11,15-16H2,1H3,(H,26,29).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 467.55 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 37359806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).