2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

C22H22N4O4S2 — CID 55602026

IUPAC2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1nccs1)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H22N4O4S2/c27-20(25-22-23-12-15-31-22)16-8-10-17(11-9-16)24-21(28)18-6-2-3-7-19(18)32(29,30)26-13-4-1-5-14-26/h2-3,6-12,15H,1,4-5,13-14H2,(H,24,28)(H,23,25,27)
InChIKeyWICFNDJWRKUYAZ-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.82
Rot. Bonds6

About 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 55602026) has the molecular formula C22H22N4O4S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
PubChem CID55602026
Molecular FormulaC22H22N4O4S2
Molecular Weight470.58 g/mol
Exact Mass470.11
IUPAC Name2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1nccs1)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H22N4O4S2/c27-20(25-22-23-12-15-31-22)16-8-10-17(11-9-16)24-21(28)18-6-2-3-7-19(18)32(29,30)26-13-4-1-5-14-26/h2-3,6-12,15H,1,4-5,13-14H2,(H,24,28)(H,23,25,27)
InChIKeyWICFNDJWRKUYAZ-UHFFFAOYSA-N
XLogP3.82
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2994136
N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55435497
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849
2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide
CID 131960359
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 55507349
4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 122152547
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289611
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43073783
2-methoxy-5-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43882672
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55333075

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (CID 55602026) is 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is O=C(Nc1nccs1)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is WICFNDJWRKUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S2/c27-20(25-22-23-12-15-31-22)16-8-10-17(11-9-16)24-21(28)18-6-2-3-7-19(18)32(29,30)26-13-4-1-5-14-26/h2-3,6-12,15H,1,4-5,13-14H2,(H,24,28)(H,23,25,27).
What are the key properties of 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 470.58 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55602026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).