1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C22H23N3O5S2 — CID 55951373

IUPAC1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)n1
InChIInChI=1S/C22H23N3O5S2/c1-15-13-31-22(23-15)24-20(26)16-9-11-25(12-10-16)21(27)19-8-7-17(30-19)14-32(28,29)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,24,26)
InChIKeyOUXFMDDNLRLTMS-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.51
Rot. Bonds6

About 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55951373) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55951373
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Name1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)n1
InChIInChI=1S/C22H23N3O5S2/c1-15-13-31-22(23-15)24-20(26)16-9-11-25(12-10-16)21(27)19-8-7-17(30-19)14-32(28,29)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,24,26)
InChIKeyOUXFMDDNLRLTMS-UHFFFAOYSA-N
XLogP3.51
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
1-(2,4-diphenyl-1,3-thiazole-5-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951643
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
1-(2-methyl-5-methylsulfonylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951244
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952659
1-[4-(difluoromethylsulfonyl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952007
1-(5-ethylfuran-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523042
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide
CID 47067553
1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951510
[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3242171
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952012

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55951373) is 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)n1.
What is the InChIKey of 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is OUXFMDDNLRLTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-15-13-31-22(23-15)24-20(26)16-9-11-25(12-10-16)21(27)19-8-7-17(30-19)14-32(28,29)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,24,26).
What are the key properties of 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55951373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).