2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C22H28N4O4S — CID 53011394

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H28N4O4S/c1-15-22(16(2)30-25-15)31(28,29)26-11-8-17(9-12-26)13-21(27)23-10-7-18-14-24-20-6-4-3-5-19(18)20/h3-6,14,17,24H,7-13H2,1-2H3,(H,23,27)
InChIKeyIEGOXDGTAOFSIV-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.92
Rot. Bonds7

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 53011394) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID53011394
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H28N4O4S/c1-15-22(16(2)30-25-15)31(28,29)26-11-8-17(9-12-26)13-21(27)23-10-7-18-14-24-20-6-4-3-5-19(18)20/h3-6,14,17,24H,7-13H2,1-2H3,(H,23,27)
InChIKeyIEGOXDGTAOFSIV-UHFFFAOYSA-N
XLogP2.92
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 53011394) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is IEGOXDGTAOFSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-15-22(16(2)30-25-15)31(28,29)26-11-8-17(9-12-26)13-21(27)23-10-7-18-14-24-20-6-4-3-5-19(18)20/h3-6,14,17,24H,7-13H2,1-2H3,(H,23,27).
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 444.56 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 53011394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).