1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C19H24ClN3O3S2 — CID 46390107

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)cs1
InChIInChI=1S/C19H24ClN3O3S2/c1-13-17(20)4-3-5-18(13)28(25,26)23-10-7-15(8-11-23)19(24)21-9-6-16-12-27-14(2)22-16/h3-5,12,15H,6-11H2,1-2H3,(H,21,24)
InChIKeyXRBFYIHIAJHQEE-UHFFFAOYSA-N
MW442.01 g/mol
LogP3.17
Rot. Bonds6

About 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46390107) has the molecular formula C19H24ClN3O3S2 and a molecular weight of 442.01 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID46390107
Molecular FormulaC19H24ClN3O3S2
Molecular Weight442.01 g/mol
Exact Mass441.09
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)cs1
InChIInChI=1S/C19H24ClN3O3S2/c1-13-17(20)4-3-5-18(13)28(25,26)23-10-7-15(8-11-23)19(24)21-9-6-16-12-27-14(2)22-16/h3-5,12,15H,6-11H2,1-2H3,(H,21,24)
InChIKeyXRBFYIHIAJHQEE-UHFFFAOYSA-N
XLogP3.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 46390107) is 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)cs1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is XRBFYIHIAJHQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S2/c1-13-17(20)4-3-5-18(13)28(25,26)23-10-7-15(8-11-23)19(24)21-9-6-16-12-27-14(2)22-16/h3-5,12,15H,6-11H2,1-2H3,(H,21,24).
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 442.01 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46390107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).