1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide

C20H22N4O3S2 — CID 3244329

IUPAC1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
InChIInChI=1S/C20H22N4O3S2/c25-20(21-12-11-15-6-2-1-3-7-15)16-8-5-13-24(14-16)29(26,27)18-10-4-9-17-19(18)23-28-22-17/h1-4,6-7,9-10,16H,5,8,11-14H2,(H,21,25)
InChIKeyWIMGKGMBXJVERQ-UHFFFAOYSA-N
MW430.56 g/mol
LogP2.45
Rot. Bonds6

About 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 3244329) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID3244329
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
InChIInChI=1S/C20H22N4O3S2/c25-20(21-12-11-15-6-2-1-3-7-15)16-8-5-13-24(14-16)29(26,27)18-10-4-9-17-19(18)23-28-22-17/h1-4,6-7,9-10,16H,5,8,11-14H2,(H,21,25)
InChIKeyWIMGKGMBXJVERQ-UHFFFAOYSA-N
XLogP2.45
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 3244329) is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is WIMGKGMBXJVERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c25-20(21-12-11-15-6-2-1-3-7-15)16-8-5-13-24(14-16)29(26,27)18-10-4-9-17-19(18)23-28-22-17/h1-4,6-7,9-10,16H,5,8,11-14H2,(H,21,25).
What are the key properties of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3244329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).