1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

C25H23N3O6S2 — CID 16862826

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc(-c4cc5ccccc5oc4=O)cs3)C2)cc1
InChIInChI=1S/C25H23N3O6S2/c1-33-18-8-10-19(11-9-18)36(31,32)28-12-4-6-17(14-28)23(29)27-25-26-21(15-35-25)20-13-16-5-2-3-7-22(16)34-24(20)30/h2-3,5,7-11,13,15,17H,4,6,12,14H2,1H3,(H,26,27,29)
InChIKeyBIHCGDONORWSQF-UHFFFAOYSA-N
MW525.61 g/mol
LogP3.96
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 16862826) has the molecular formula C25H23N3O6S2 and a molecular weight of 525.61 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
PubChem CID16862826
Molecular FormulaC25H23N3O6S2
Molecular Weight525.61 g/mol
Exact Mass525.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc(-c4cc5ccccc5oc4=O)cs3)C2)cc1
InChIInChI=1S/C25H23N3O6S2/c1-33-18-8-10-19(11-9-18)36(31,32)28-12-4-6-17(14-28)23(29)27-25-26-21(15-35-25)20-13-16-5-2-3-7-22(16)34-24(20)30/h2-3,5,7-11,13,15,17H,4,6,12,14H2,1H3,(H,26,27,29)
InChIKeyBIHCGDONORWSQF-UHFFFAOYSA-N
XLogP3.96
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827708
1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16861657
1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 46632633
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828540
1-(benzenesulfonyl)-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16861540
1-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16828919
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826109
1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16829147
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829102
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2322219
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 16862826) is 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc(-c4cc5ccccc5oc4=O)cs3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is BIHCGDONORWSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6S2/c1-33-18-8-10-19(11-9-18)36(31,32)28-12-4-6-17(14-28)23(29)27-25-26-21(15-35-25)20-13-16-5-2-3-7-22(16)34-24(20)30/h2-3,5,7-11,13,15,17H,4,6,12,14H2,1H3,(H,26,27,29).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 525.61 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 16862826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).