5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide

C16H21N5O3S2 — CID 25163281

IUPAC5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)s1
InChIInChI=1S/C16H21N5O3S2/c1-11-18-19-16(25-11)17-15(22)13-10-12(26(23,24)20(2)3)6-7-14(13)21-8-4-5-9-21/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19,22)
InChIKeyGAWFZKOXEBXWOP-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.95
Rot. Bonds5

About 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 25163281) has the molecular formula C16H21N5O3S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
PubChem CID25163281
Molecular FormulaC16H21N5O3S2
Molecular Weight395.51 g/mol
Exact Mass395.11
IUPAC Name5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)s1
InChIInChI=1S/C16H21N5O3S2/c1-11-18-19-16(25-11)17-15(22)13-10-12(26(23,24)20(2)3)6-7-14(13)21-8-4-5-9-21/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19,22)
InChIKeyGAWFZKOXEBXWOP-UHFFFAOYSA-N
XLogP1.95
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide (CID 25163281) is 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide is Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)s1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is GAWFZKOXEBXWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S2/c1-11-18-19-16(25-11)17-15(22)13-10-12(26(23,24)20(2)3)6-7-14(13)21-8-4-5-9-21/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19,22).
What are the key properties of 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 395.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 25163281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).