N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C26H29N3O3S — CID 2519274

IUPACN-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O3S/c1-28(2)33(31,32)22-15-16-24(29-17-9-10-18-29)23(19-22)26(30)27-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-16,19,25H,9-10,17-18H2,1-2H3,(H,27,30)
InChIKeyIRJCYQZNUUWHOO-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.06
Rot. Bonds7

About N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 2519274) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID2519274
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O3S/c1-28(2)33(31,32)22-15-16-24(29-17-9-10-18-29)23(19-22)26(30)27-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-16,19,25H,9-10,17-18H2,1-2H3,(H,27,30)
InChIKeyIRJCYQZNUUWHOO-UHFFFAOYSA-N
XLogP4.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 2519274) is N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is IRJCYQZNUUWHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-28(2)33(31,32)22-15-16-24(29-17-9-10-18-29)23(19-22)26(30)27-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-16,19,25H,9-10,17-18H2,1-2H3,(H,27,30).
What are the key properties of N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 463.60 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 2519274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).