N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C24H26ClN3O4S — CID 41111350

IUPACN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H26ClN3O4S/c25-22-8-2-1-7-21(22)23(28-13-3-4-14-28)17-26-24(29)18-9-11-20(12-10-18)33(30,31)27-16-19-6-5-15-32-19/h1-2,5-12,15,23,27H,3-4,13-14,16-17H2,(H,26,29)/t23-/m0/s1
InChIKeySFDSLEVSJDMCCQ-QHCPKHFHSA-N
MW488.01 g/mol
LogP3.98
Rot. Bonds9

About N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 41111350) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID41111350
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H26ClN3O4S/c25-22-8-2-1-7-21(22)23(28-13-3-4-14-28)17-26-24(29)18-9-11-20(12-10-18)33(30,31)27-16-19-6-5-15-32-19/h1-2,5-12,15,23,27H,3-4,13-14,16-17H2,(H,26,29)/t23-/m0/s1
InChIKeySFDSLEVSJDMCCQ-QHCPKHFHSA-N
XLogP3.98
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 27800512
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
CID 26795013
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 35043208
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
CID 26795079
[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2112676
5-(furan-2-ylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46446715
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765852
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24658958
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 41111350) is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is SFDSLEVSJDMCCQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c25-22-8-2-1-7-21(22)23(28-13-3-4-14-28)17-26-24(29)18-9-11-20(12-10-18)33(30,31)27-16-19-6-5-15-32-19/h1-2,5-12,15,23,27H,3-4,13-14,16-17H2,(H,26,29)/t23-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 488.01 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 41111350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).