N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide

C17H19N3O4S2 — CID 55435497

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H19N3O4S2/c1-12(21)14-11-25-17(18-14)19-16(22)13-7-3-4-8-15(13)26(23,24)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,22)
InChIKeyXMNPENORSATPFJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.77
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55435497) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55435497
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H19N3O4S2/c1-12(21)14-11-25-17(18-14)19-16(22)13-7-3-4-8-15(13)26(23,24)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,22)
InChIKeyXMNPENORSATPFJ-UHFFFAOYSA-N
XLogP2.77
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
CID 55435294
2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 55507349
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289611
2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 55602026
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
N-(4-acetyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 24555768
2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide
CID 131960359
ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333562
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
CID 119223642
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide (CID 55435497) is N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide is CC(=O)c1csc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XMNPENORSATPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-12(21)14-11-25-17(18-14)19-16(22)13-7-3-4-8-15(13)26(23,24)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,22).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55435497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).