N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

C19H24ClN3O4S — CID 3235717

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H24ClN3O4S/c1-13-18(14(2)27-22-13)28(25,26)23-11-3-4-16(12-23)19(24)21-10-9-15-5-7-17(20)8-6-15/h5-8,16H,3-4,9-12H2,1-2H3,(H,21,24)
InChIKeyGUEFTEWLVKIZIA-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.70
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 3235717) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID3235717
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H24ClN3O4S/c1-13-18(14(2)27-22-13)28(25,26)23-11-3-4-16(12-23)19(24)21-10-9-15-5-7-17(20)8-6-15/h5-8,16H,3-4,9-12H2,1-2H3,(H,21,24)
InChIKeyGUEFTEWLVKIZIA-UHFFFAOYSA-N
XLogP2.70
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 3235717) is N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is GUEFTEWLVKIZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-13-18(14(2)27-22-13)28(25,26)23-11-3-4-16(12-23)19(24)21-10-9-15-5-7-17(20)8-6-15/h5-8,16H,3-4,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 425.94 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 3235717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).