1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C22H27N3O4S3 — CID 53106312

IUPAC1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4cccs4)CC3)ccc21
InChIInChI=1S/C22H27N3O4S3/c1-15(2)25-19-6-5-18(14-20(19)31-22(25)27)32(28,29)24-11-8-16(9-12-24)21(26)23-10-7-17-4-3-13-30-17/h3-6,13-16H,7-12H2,1-2H3,(H,23,26)
InChIKeyHKHOPZHLYSQXFX-UHFFFAOYSA-N
MW493.68 g/mol
LogP3.46
Rot. Bonds7

About 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 53106312) has the molecular formula C22H27N3O4S3 and a molecular weight of 493.68 g/mol. Its IUPAC name is 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID53106312
Molecular FormulaC22H27N3O4S3
Molecular Weight493.68 g/mol
Exact Mass493.12
IUPAC Name1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4cccs4)CC3)ccc21
InChIInChI=1S/C22H27N3O4S3/c1-15(2)25-19-6-5-18(14-20(19)31-22(25)27)32(28,29)24-11-8-16(9-12-24)21(26)23-10-7-17-4-3-13-30-17/h3-6,13-16H,7-12H2,1-2H3,(H,23,26)
InChIKeyHKHOPZHLYSQXFX-UHFFFAOYSA-N
XLogP3.46
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106285
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53106237
1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53106256
1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 53106305
N-(3-methylphenyl)-1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106306
1-(4-cyanophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 17488678
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349
N-[3-(azepan-1-yl)propyl]-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106175
1-(4-methylphenyl)sulfonyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100561216
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 53106236
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53106217
N-(furan-2-ylmethyl)-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106120

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 53106312) is 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4cccs4)CC3)ccc21.
What is the InChIKey of 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is HKHOPZHLYSQXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S3/c1-15(2)25-19-6-5-18(14-20(19)31-22(25)27)32(28,29)24-11-8-16(9-12-24)21(26)23-10-7-17-4-3-13-30-17/h3-6,13-16H,7-12H2,1-2H3,(H,23,26).
What are the key properties of 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 493.68 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53106312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).