3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide

C25H29N3O4S — CID 41041399

IUPAC3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C25H29N3O4S/c1-19-11-12-21(16-24(19)33(30,31)27-17-20-8-3-2-4-9-20)25(29)26-18-22(23-10-7-15-32-23)28-13-5-6-14-28/h2-4,7-12,15-16,22,27H,5-6,13-14,17-18H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyZIXLDURZQWKPBA-JOCHJYFZSA-N
MW467.59 g/mol
LogP3.63
Rot. Bonds9

About 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide

3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide (PubChem CID 41041399) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
PubChem CID41041399
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C25H29N3O4S/c1-19-11-12-21(16-24(19)33(30,31)27-17-20-8-3-2-4-9-20)25(29)26-18-22(23-10-7-15-32-23)28-13-5-6-14-28/h2-4,7-12,15-16,22,27H,5-6,13-14,17-18H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyZIXLDURZQWKPBA-JOCHJYFZSA-N
XLogP3.63
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 41042450
3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9482206
N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41130825
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46809468
3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 40984734
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
5-(furan-2-ylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46446715
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
4-methyl-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 154745470

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide (CID 41041399) is 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide?
The InChIKey is ZIXLDURZQWKPBA-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-19-11-12-21(16-24(19)33(30,31)27-17-20-8-3-2-4-9-20)25(29)26-18-22(23-10-7-15-32-23)28-13-5-6-14-28/h2-4,7-12,15-16,22,27H,5-6,13-14,17-18H2,1H3,(H,26,29)/t22-/m1/s1.
What are the key properties of 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide?
3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide has a molecular weight of 467.59 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 41041399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).