2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

C23H27N3O3S — CID 112781138

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)CSc2nc3ccccc3o2)N2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-28-18-11-9-17(10-12-18)20(26-13-5-2-6-14-26)15-24-22(27)16-30-23-25-19-7-3-4-8-21(19)29-23/h3-4,7-12,20H,2,5-6,13-16H2,1H3,(H,24,27)
InChIKeyFNKBPPBAGVPOOE-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.27
Rot. Bonds8

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 112781138) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
PubChem CID112781138
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)CSc2nc3ccccc3o2)N2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-28-18-11-9-17(10-12-18)20(26-13-5-2-6-14-26)15-24-22(27)16-30-23-25-19-7-3-4-8-21(19)29-23/h3-4,7-12,20H,2,5-6,13-16H2,1H3,(H,24,27)
InChIKeyFNKBPPBAGVPOOE-UHFFFAOYSA-N
XLogP4.27
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide
CID 41411203
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9268625
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 26206969
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 40849817
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55997675
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112777277
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (CID 112781138) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is COc1ccc(C(CNC(=O)CSc2nc3ccccc3o2)N2CCCCC2)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is FNKBPPBAGVPOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-28-18-11-9-17(10-12-18)20(26-13-5-2-6-14-26)15-24-22(27)16-30-23-25-19-7-3-4-8-21(19)29-23/h3-4,7-12,20H,2,5-6,13-16H2,1H3,(H,24,27).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 425.55 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 112781138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).