1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide

C18H18ClN3O3S4 — CID 16826725

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
SMILESCSc1cccc2sc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)nc12
InChIInChI=1S/C18H18ClN3O3S4/c1-26-12-6-4-7-13-16(12)20-18(27-13)21-17(23)11-5-2-3-10-22(11)29(24,25)15-9-8-14(19)28-15/h4,6-9,11H,2-3,5,10H2,1H3,(H,20,21,23)
InChIKeyHSZJBKPIWWEULK-UHFFFAOYSA-N
MW488.08 g/mol
LogP4.91
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide (PubChem CID 16826725) has the molecular formula C18H18ClN3O3S4 and a molecular weight of 488.08 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
PubChem CID16826725
Molecular FormulaC18H18ClN3O3S4
Molecular Weight488.08 g/mol
Exact Mass486.99
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
SMILESCSc1cccc2sc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)nc12
InChIInChI=1S/C18H18ClN3O3S4/c1-26-12-6-4-7-13-16(12)20-18(27-13)21-17(23)11-5-2-3-10-22(11)29(24,25)15-9-8-14(19)28-15/h4,6-9,11H,2-3,5,10H2,1H3,(H,20,21,23)
InChIKeyHSZJBKPIWWEULK-UHFFFAOYSA-N
XLogP4.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.08
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16828646
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 41343401
1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16830983
1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide
CID 16826658
N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826294
(2R)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27545897
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 16826687
1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 44946732
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 41398144
1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-nitro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 16850597
1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16938543
1-(4-chlorophenyl)sulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827796

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide (CID 16826725) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide is CSc1cccc2sc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)nc12.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is HSZJBKPIWWEULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S4/c1-26-12-6-4-7-13-16(12)20-18(27-13)21-17(23)11-5-2-3-10-22(11)29(24,25)15-9-8-14(19)28-15/h4,6-9,11H,2-3,5,10H2,1H3,(H,20,21,23).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 488.08 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 16826725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).