N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C24H28N4O3S2 — CID 43071688

IUPACN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)c1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)n2)cc1
InChIInChI=1S/C24H28N4O3S2/c1-3-17(2)18-6-8-19(9-7-18)22-16-32-24(26-22)27-23(29)20-10-13-28(14-11-20)33(30,31)21-5-4-12-25-15-21/h4-9,12,15-17,20H,3,10-11,13-14H2,1-2H3,(H,26,27,29)
InChIKeyZGCKPAOZZODNFE-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.76
Rot. Bonds7

About N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 43071688) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID43071688
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC NameN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)c1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)n2)cc1
InChIInChI=1S/C24H28N4O3S2/c1-3-17(2)18-6-8-19(9-7-18)22-16-32-24(26-22)27-23(29)20-10-13-28(14-11-20)33(30,31)21-5-4-12-25-15-21/h4-9,12,15-17,20H,3,10-11,13-14H2,1-2H3,(H,26,27,29)
InChIKeyZGCKPAOZZODNFE-UHFFFAOYSA-N
XLogP4.76
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38868649
1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036
1-(3-methylsulfonylphenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16828570
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828561
1-(4-methylsulfanylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16828426
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850
1-(2-methylsulfanylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16828251
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 41153023

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 43071688) is N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CCC(C)c1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)n2)cc1.
What is the InChIKey of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZGCKPAOZZODNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-3-17(2)18-6-8-19(9-7-18)22-16-32-24(26-22)27-23(29)20-10-13-28(14-11-20)33(30,31)21-5-4-12-25-15-21/h4-9,12,15-17,20H,3,10-11,13-14H2,1-2H3,(H,26,27,29).
What are the key properties of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 484.65 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43071688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).