1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C20H28N4O5S2 — CID 16556972

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CC(C)C)s3)CC2)cc1OC
InChIInChI=1S/C20H28N4O5S2/c1-13(2)11-18-22-23-20(30-18)21-19(25)14-7-9-24(10-8-14)31(26,27)15-5-6-16(28-3)17(12-15)29-4/h5-6,12-14H,7-11H2,1-4H3,(H,21,23,25)
InChIKeyLSVLIBMYGXWJFH-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.79
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16556972) has the molecular formula C20H28N4O5S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID16556972
Molecular FormulaC20H28N4O5S2
Molecular Weight468.60 g/mol
Exact Mass468.15
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CC(C)C)s3)CC2)cc1OC
InChIInChI=1S/C20H28N4O5S2/c1-13(2)11-18-22-23-20(30-18)21-19(25)14-7-9-24(10-8-14)31(26,27)15-5-6-16(28-3)17(12-15)29-4/h5-6,12-14H,7-11H2,1-4H3,(H,21,23,25)
InChIKeyLSVLIBMYGXWJFH-UHFFFAOYSA-N
XLogP2.79
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]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-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 16556972) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CC(C)C)s3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is LSVLIBMYGXWJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S2/c1-13(2)11-18-22-23-20(30-18)21-19(25)14-7-9-24(10-8-14)31(26,27)15-5-6-16(28-3)17(12-15)29-4/h5-6,12-14H,7-11H2,1-4H3,(H,21,23,25).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16556972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).