1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C22H33N5O4S2 — CID 24611246

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(CN3CC(C)CC(C)C3)cs2)CC1
InChIInChI=1S/C22H33N5O4S2/c1-14-9-15(2)11-26(10-14)12-19-13-32-22(23-19)24-21(28)18-5-7-27(8-6-18)33(29,30)20-16(3)25-31-17(20)4/h13-15,18H,5-12H2,1-4H3,(H,23,24,28)
InChIKeyREYRGGXVADVBSI-UHFFFAOYSA-N
MW495.67 g/mol
LogP3.27
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 24611246) has the molecular formula C22H33N5O4S2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID24611246
Molecular FormulaC22H33N5O4S2
Molecular Weight495.67 g/mol
Exact Mass495.20
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(CN3CC(C)CC(C)C3)cs2)CC1
InChIInChI=1S/C22H33N5O4S2/c1-14-9-15(2)11-26(10-14)12-19-13-32-22(23-19)24-21(28)18-5-7-27(8-6-18)33(29,30)20-16(3)25-31-17(20)4/h13-15,18H,5-12H2,1-4H3,(H,23,24,28)
InChIKeyREYRGGXVADVBSI-UHFFFAOYSA-N
XLogP3.27
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 24611246) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(CN3CC(C)CC(C)C3)cs2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is REYRGGXVADVBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4S2/c1-14-9-15(2)11-26(10-14)12-19-13-32-22(23-19)24-21(28)18-5-7-27(8-6-18)33(29,30)20-16(3)25-31-17(20)4/h13-15,18H,5-12H2,1-4H3,(H,23,24,28).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24611246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).