5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

C23H28N6O3S — CID 55971669

IUPAC5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2cccc(Cn3cncn3)c2)c1
InChIInChI=1S/C23H28N6O3S/c1-27(2)33(31,32)20-8-9-22(28-10-3-4-11-28)21(13-20)23(30)25-14-18-6-5-7-19(12-18)15-29-17-24-16-26-29/h5-9,12-13,16-17H,3-4,10-11,14-15H2,1-2H3,(H,25,30)
InChIKeyGYWNEAROEMGWTF-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.11
Rot. Bonds8

About 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55971669) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55971669
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2cccc(Cn3cncn3)c2)c1
InChIInChI=1S/C23H28N6O3S/c1-27(2)33(31,32)20-8-9-22(28-10-3-4-11-28)21(13-20)23(30)25-14-18-6-5-7-19(12-18)15-29-17-24-16-26-29/h5-9,12-13,16-17H,3-4,10-11,14-15H2,1-2H3,(H,25,30)
InChIKeyGYWNEAROEMGWTF-UHFFFAOYSA-N
XLogP2.11
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732152
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964496
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 55673941
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55620970
5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964117
5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 31737983
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
N-(1H-benzimidazol-2-ylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112791035
5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 37424773
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55971669) is 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2cccc(Cn3cncn3)c2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is GYWNEAROEMGWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-27(2)33(31,32)20-8-9-22(28-10-3-4-11-28)21(13-20)23(30)25-14-18-6-5-7-19(12-18)15-29-17-24-16-26-29/h5-9,12-13,16-17H,3-4,10-11,14-15H2,1-2H3,(H,25,30).
What are the key properties of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 468.58 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55971669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).