1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C21H21N3O3S2 — CID 2998748

IUPAC1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H21N3O3S2/c25-20(23-21-22-19(15-28-21)16-8-3-1-4-9-16)17-10-7-13-24(14-17)29(26,27)18-11-5-2-6-12-18/h1-6,8-9,11-12,15,17H,7,10,13-14H2,(H,22,23,25)
InChIKeySTRYGTYNNDHPDP-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.85
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 2998748) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID2998748
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC Name1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H21N3O3S2/c25-20(23-21-22-19(15-28-21)16-8-3-1-4-9-16)17-10-7-13-24(14-17)29(26,27)18-11-5-2-6-12-18/h1-6,8-9,11-12,15,17H,7,10,13-14H2,(H,22,23,25)
InChIKeySTRYGTYNNDHPDP-UHFFFAOYSA-N
XLogP3.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 2998748) is 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is STRYGTYNNDHPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c25-20(23-21-22-19(15-28-21)16-8-3-1-4-9-16)17-10-7-13-24(14-17)29(26,27)18-11-5-2-6-12-18/h1-6,8-9,11-12,15,17H,7,10,13-14H2,(H,22,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 2998748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).