5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

C21H29N3O4S — CID 55981661

IUPAC5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C21H29N3O4S/c1-16(15-24-9-3-4-10-24)13-22-21(25)20-12-19(8-7-17(20)2)29(26,27)23-14-18-6-5-11-28-18/h5-8,11-12,16,23H,3-4,9-10,13-15H2,1-2H3,(H,22,25)
InChIKeyQYXZWJOLUMUHCT-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.53
Rot. Bonds9

About 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 55981661) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID55981661
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C21H29N3O4S/c1-16(15-24-9-3-4-10-24)13-22-21(25)20-12-19(8-7-17(20)2)29(26,27)23-14-18-6-5-11-28-18/h5-8,11-12,16,23H,3-4,9-10,13-15H2,1-2H3,(H,22,25)
InChIKeyQYXZWJOLUMUHCT-UHFFFAOYSA-N
XLogP2.53
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46446715
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 55628988
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55506799
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56544048

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (CID 55981661) is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCC(C)CN1CCCC1.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is QYXZWJOLUMUHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-16(15-24-9-3-4-10-24)13-22-21(25)20-12-19(8-7-17(20)2)29(26,27)23-14-18-6-5-11-28-18/h5-8,11-12,16,23H,3-4,9-10,13-15H2,1-2H3,(H,22,25).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 419.55 g/mol, XLogP of 2.53, 9 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-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 55981661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).