N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide

C21H22N4O4S3 — CID 55952664

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)CC2)n1
InChIInChI=1S/C21H22N4O4S3/c1-14-13-31-21(22-14)23-19(26)15-8-10-25(11-9-15)20(27)16-4-6-17(7-5-16)24-32(28,29)18-3-2-12-30-18/h2-7,12-13,15,24H,8-11H2,1H3,(H,22,23,26)
InChIKeyUTJYGDLTSVKMLH-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.80
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide (PubChem CID 55952664) has the molecular formula C21H22N4O4S3 and a molecular weight of 490.63 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
PubChem CID55952664
Molecular FormulaC21H22N4O4S3
Molecular Weight490.63 g/mol
Exact Mass490.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)CC2)n1
InChIInChI=1S/C21H22N4O4S3/c1-14-13-31-21(22-14)23-19(26)15-8-10-25(11-9-15)20(27)16-4-6-17(7-5-16)24-32(28,29)18-3-2-12-30-18/h2-7,12-13,15,24H,8-11H2,1H3,(H,22,23,26)
InChIKeyUTJYGDLTSVKMLH-UHFFFAOYSA-N
XLogP3.80
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951510
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952012
1-[4-(1,3-dithian-2-yl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51123076
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
1-[3-(diethylsulfamoyl)-4-methylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951754
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 60506544
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxamide
CID 55952538
1-(2-methyl-5-methylsulfonylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951244

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide (CID 55952664) is N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide?
The InChIKey is UTJYGDLTSVKMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S3/c1-14-13-31-21(22-14)23-19(26)15-8-10-25(11-9-15)20(27)16-4-6-17(7-5-16)24-32(28,29)18-3-2-12-30-18/h2-7,12-13,15,24H,8-11H2,1H3,(H,22,23,26).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55952664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).