1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide

C20H23N5O3S2 — CID 126471560

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(=O)NC(c3ccccn3)c3cccs3)CC2)c1
InChIInChI=1S/C20H23N5O3S2/c1-24-13-18(22-14-24)30(27,28)25-10-7-15(8-11-25)20(26)23-19(17-6-4-12-29-17)16-5-2-3-9-21-16/h2-6,9,12-15,19H,7-8,10-11H2,1H3,(H,23,26)
InChIKeyYVKJRPYPWYTWGZ-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.18
Rot. Bonds6

About 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide

1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 126471560) has the molecular formula C20H23N5O3S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID126471560
Molecular FormulaC20H23N5O3S2
Molecular Weight445.57 g/mol
Exact Mass445.12
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(=O)NC(c3ccccn3)c3cccs3)CC2)c1
InChIInChI=1S/C20H23N5O3S2/c1-24-13-18(22-14-24)30(27,28)25-10-7-15(8-11-25)20(26)23-19(17-6-4-12-29-17)16-5-2-3-9-21-16/h2-6,9,12-15,19H,7-8,10-11H2,1H3,(H,23,26)
InChIKeyYVKJRPYPWYTWGZ-UHFFFAOYSA-N
XLogP2.18
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-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 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide (CID 126471560) is 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide is Cn1cnc(S(=O)(=O)N2CCC(C(=O)NC(c3ccccn3)c3cccs3)CC2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YVKJRPYPWYTWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S2/c1-24-13-18(22-14-24)30(27,28)25-10-7-15(8-11-25)20(26)23-19(17-6-4-12-29-17)16-5-2-3-9-21-16/h2-6,9,12-15,19H,7-8,10-11H2,1H3,(H,23,26).
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide?
1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-N-[pyridin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126471560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).