N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C19H26N4O3S — CID 55655524

IUPACN-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC2CCCN(Cc3ccccc3)C2)n(C)c1
InChIInChI=1S/C19H26N4O3S/c1-20-27(25,26)17-11-18(22(2)14-17)19(24)21-16-9-6-10-23(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,11,14,16,20H,6,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyZUKSTIFBCSYARA-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.33
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 55655524) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID55655524
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC2CCCN(Cc3ccccc3)C2)n(C)c1
InChIInChI=1S/C19H26N4O3S/c1-20-27(25,26)17-11-18(22(2)14-17)19(24)21-16-9-6-10-23(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,11,14,16,20H,6,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyZUKSTIFBCSYARA-UHFFFAOYSA-N
XLogP1.33
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 55655524) is N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)NC2CCCN(Cc3ccccc3)C2)n(C)c1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is ZUKSTIFBCSYARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-20-27(25,26)17-11-18(22(2)14-17)19(24)21-16-9-6-10-23(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,11,14,16,20H,6,9-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55655524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).