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

C25H22ClN3O3S3 — CID 25187969

IUPACN-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C25H22ClN3O3S3/c26-20-7-3-17(4-8-20)22-16-34-25(28-22)19-5-9-21(10-6-19)27-24(30)18-11-13-29(14-12-18)35(31,32)23-2-1-15-33-23/h1-10,15-16,18H,11-14H2,(H,27,30)
InChIKeyKITAQLKJYXMOGL-UHFFFAOYSA-N
MW544.12 g/mol
LogP6.23
Rot. Bonds6

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

N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 25187969) has the molecular formula C25H22ClN3O3S3 and a molecular weight of 544.12 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID25187969
Molecular FormulaC25H22ClN3O3S3
Molecular Weight544.12 g/mol
Exact Mass543.05
IUPAC NameN-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C25H22ClN3O3S3/c26-20-7-3-17(4-8-20)22-16-34-25(28-22)19-5-9-21(10-6-19)27-24(30)18-11-13-29(14-12-18)35(31,32)23-2-1-15-33-23/h1-10,15-16,18H,11-14H2,(H,27,30)
InChIKeyKITAQLKJYXMOGL-UHFFFAOYSA-N
XLogP6.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.12
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2532699
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26291752
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 25187966
N-[4-(cyanomethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9259749
N-[5-chloro-2-(dimethylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55336383
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
1-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16804460
ethyl 4-(4-chlorophenyl)-2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 4089309

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 25187969) is N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is KITAQLKJYXMOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3S3/c26-20-7-3-17(4-8-20)22-16-34-25(28-22)19-5-9-21(10-6-19)27-24(30)18-11-13-29(14-12-18)35(31,32)23-2-1-15-33-23/h1-10,15-16,18H,11-14H2,(H,27,30).
What are the key properties of N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 544.12 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25187969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).