N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C19H19N3O3S3 — CID 25187693

IUPACN-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H19N3O3S3/c23-18(21-16-5-3-15(4-6-16)19-20-9-13-27-19)14-7-10-22(11-8-14)28(24,25)17-2-1-12-26-17/h1-6,9,12-14H,7-8,10-11H2,(H,21,23)
InChIKeyHUHMGXJGAGDBSC-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.91
Rot. Bonds5

About N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 25187693) has the molecular formula C19H19N3O3S3 and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID25187693
Molecular FormulaC19H19N3O3S3
Molecular Weight433.58 g/mol
Exact Mass433.06
IUPAC NameN-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H19N3O3S3/c23-18(21-16-5-3-15(4-6-16)19-20-9-13-27-19)14-7-10-22(11-8-14)28(24,25)17-2-1-12-26-17/h1-6,9,12-14H,7-8,10-11H2,(H,21,23)
InChIKeyHUHMGXJGAGDBSC-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 25187693) is N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HUHMGXJGAGDBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S3/c23-18(21-16-5-3-15(4-6-16)19-20-9-13-27-19)14-7-10-22(11-8-14)28(24,25)17-2-1-12-26-17/h1-6,9,12-14H,7-8,10-11H2,(H,21,23).
What are the key properties of N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25187693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).