3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C19H19N3O3S3 — CID 2404328

IUPAC3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19N3O3S3/c23-18(21-19-20-16(13-27-19)17-8-5-11-26-17)14-6-4-7-15(12-14)28(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,20,21,23)
InChIKeyQSAFLKVQXAUOST-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.30
Rot. Bonds5

About 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2404328) has the molecular formula C19H19N3O3S3 and a molecular weight of 433.58 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2404328
Molecular FormulaC19H19N3O3S3
Molecular Weight433.58 g/mol
Exact Mass433.06
IUPAC Name3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19N3O3S3/c23-18(21-19-20-16(13-27-19)17-8-5-11-26-17)14-6-4-7-15(12-14)28(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,20,21,23)
InChIKeyQSAFLKVQXAUOST-UHFFFAOYSA-N
XLogP4.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 2404328) is 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QSAFLKVQXAUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S3/c23-18(21-19-20-16(13-27-19)17-8-5-11-26-17)14-6-4-7-15(12-14)28(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,20,21,23).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 433.58 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2404328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).