2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C18H22ClN3O4S — CID 71837543

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C18H22ClN3O4S/c1-12-16(18(23)21(2)3)20-17(26-12)13-8-10-22(11-9-13)27(24,25)15-6-4-14(19)5-7-15/h4-7,13H,8-11H2,1-3H3
InChIKeyVNLDDRVCSFBWJD-UHFFFAOYSA-N
MW411.91 g/mol
LogP2.91
Rot. Bonds4

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 71837543) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID71837543
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C18H22ClN3O4S/c1-12-16(18(23)21(2)3)20-17(26-12)13-8-10-22(11-9-13)27(24,25)15-6-4-14(19)5-7-15/h4-7,13H,8-11H2,1-3H3
InChIKeyVNLDDRVCSFBWJD-UHFFFAOYSA-N
XLogP2.91
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 71837543) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C(=O)N(C)C.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is VNLDDRVCSFBWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-12-16(18(23)21(2)3)20-17(26-12)13-8-10-22(11-9-13)27(24,25)15-6-4-14(19)5-7-15/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 411.91 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71837543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).