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

C19H19N3O3S3 — CID 1355930

IUPAC4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H19N3O3S3/c23-18(21-19-20-16(13-27-19)17-5-4-12-26-17)14-6-8-15(9-7-14)28(24,25)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2,(H,20,21,23)
InChIKeyXZTHDYTWCKVIQR-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.30
Rot. Bonds5

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

4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 1355930) has the molecular formula C19H19N3O3S3 and a molecular weight of 433.58 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID1355930
Molecular FormulaC19H19N3O3S3
Molecular Weight433.58 g/mol
Exact Mass433.06
IUPAC Name4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H19N3O3S3/c23-18(21-19-20-16(13-27-19)17-5-4-12-26-17)14-6-8-15(9-7-14)28(24,25)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2,(H,20,21,23)
InChIKeyXZTHDYTWCKVIQR-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 4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 1355930) is 4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XZTHDYTWCKVIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S3/c23-18(21-19-20-16(13-27-19)17-5-4-12-26-17)14-6-8-15(9-7-14)28(24,25)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2,(H,20,21,23).
What are the key properties of 4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
4-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 4-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1355930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).