2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

C22H33N3O6S — CID 53124882

IUPAC2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)NCCCOC(C)C)CC3)ccc21
InChIInChI=1S/C22H33N3O6S/c1-4-25-19-7-6-18(15-20(19)31-22(25)27)32(28,29)24-11-8-17(9-12-24)14-21(26)23-10-5-13-30-16(2)3/h6-7,15-17H,4-5,8-14H2,1-3H3,(H,23,26)
InChIKeyZMWCLZGPOXNCSJ-UHFFFAOYSA-N
MW467.59 g/mol
LogP2.34
Rot. Bonds10

About 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 53124882) has the molecular formula C22H33N3O6S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID53124882
Molecular FormulaC22H33N3O6S
Molecular Weight467.59 g/mol
Exact Mass467.21
IUPAC Name2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)NCCCOC(C)C)CC3)ccc21
InChIInChI=1S/C22H33N3O6S/c1-4-25-19-7-6-18(15-20(19)31-22(25)27)32(28,29)24-11-8-17(9-12-24)14-21(26)23-10-5-13-30-16(2)3/h6-7,15-17H,4-5,8-14H2,1-3H3,(H,23,26)
InChIKeyZMWCLZGPOXNCSJ-UHFFFAOYSA-N
XLogP2.34
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)acetamide
CID 53124862
N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124861
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53124845
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 53124829
N-(3-methylbutyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124919
2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 53124781
N-(3-chloro-4-fluorophenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124877
N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124967
2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53124780
3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 110421389
N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124987
3-ethyl-6-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 110311408

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 53124882) is 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)NCCCOC(C)C)CC3)ccc21.
What is the InChIKey of 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is ZMWCLZGPOXNCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O6S/c1-4-25-19-7-6-18(15-20(19)31-22(25)27)32(28,29)24-11-8-17(9-12-24)14-21(26)23-10-5-13-30-16(2)3/h6-7,15-17H,4-5,8-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 467.59 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 53124882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).