N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide

C18H19N3O3S2 — CID 49460452

IUPACN-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1
InChIInChI=1S/C18H19N3O3S2/c1-13-2-7-17(25-13)18(22)20-15-8-10-21(11-9-15)26(23,24)16-5-3-14(12-19)4-6-16/h2-7,15H,8-11H2,1H3,(H,20,22)
InChIKeyUMRGZFILBTYUEQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.51
Rot. Bonds4

About N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 49460452) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID49460452
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1
InChIInChI=1S/C18H19N3O3S2/c1-13-2-7-17(25-13)18(22)20-15-8-10-21(11-9-15)26(23,24)16-5-3-14(12-19)4-6-16/h2-7,15H,8-11H2,1H3,(H,20,22)
InChIKeyUMRGZFILBTYUEQ-UHFFFAOYSA-N
XLogP2.51
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 49460452) is N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1.
What is the InChIKey of N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is UMRGZFILBTYUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-13-2-7-17(25-13)18(22)20-15-8-10-21(11-9-15)26(23,24)16-5-3-14(12-19)4-6-16/h2-7,15H,8-11H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 49460452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).