1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide

C22H31N3O4S2 — CID 53106235

IUPAC1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCC(C)CC4)CC3)ccc21
InChIInChI=1S/C22H31N3O4S2/c1-3-25-19-9-8-18(14-20(19)30-22(25)27)31(28,29)24-12-10-16(11-13-24)21(26)23-17-6-4-15(2)5-7-17/h8-9,14-17H,3-7,10-13H2,1-2H3,(H,23,26)
InChIKeyVCKYYDGRXXKVMP-UHFFFAOYSA-N
MW465.64 g/mol
LogP3.18
Rot. Bonds5

About 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide

1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 53106235) has the molecular formula C22H31N3O4S2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID53106235
Molecular FormulaC22H31N3O4S2
Molecular Weight465.64 g/mol
Exact Mass465.18
IUPAC Name1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCC(C)CC4)CC3)ccc21
InChIInChI=1S/C22H31N3O4S2/c1-3-25-19-9-8-18(14-20(19)30-22(25)27)31(28,29)24-12-10-16(11-13-24)21(26)23-17-6-4-15(2)5-7-17/h8-9,14-17H,3-7,10-13H2,1-2H3,(H,23,26)
InChIKeyVCKYYDGRXXKVMP-UHFFFAOYSA-N
XLogP3.18
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(4-methylcyclohexyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106361
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53106217
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-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53106232
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53106237
N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106184
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-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 53106245
N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106373
N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide
CID 53080581
N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106366
N-(4-methoxyphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106320

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (CID 53106235) is 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide is CCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCC(C)CC4)CC3)ccc21.
What is the InChIKey of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is VCKYYDGRXXKVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S2/c1-3-25-19-9-8-18(14-20(19)30-22(25)27)31(28,29)24-12-10-16(11-13-24)21(26)23-17-6-4-15(2)5-7-17/h8-9,14-17H,3-7,10-13H2,1-2H3,(H,23,26).
What are the key properties of 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 53106235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).