2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide

C25H31NO2S — CID 138547628

IUPAC2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1)N(CC1CCC2(CCCCCC2)S1)c1ccccc1
InChIInChI=1S/C25H31NO2S/c27-24(20-28-22-13-7-4-8-14-22)26(21-11-5-3-6-12-21)19-23-15-18-25(29-23)16-9-1-2-10-17-25/h3-8,11-14,23H,1-2,9-10,15-20H2
InChIKeyMZLRGNHQHOQXKU-UHFFFAOYSA-N
MW409.60 g/mol
LogP6.09
Rot. Bonds6

About 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide

2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide (PubChem CID 138547628) has the molecular formula C25H31NO2S and a molecular weight of 409.60 g/mol. Its IUPAC name is 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide
PubChem CID138547628
Molecular FormulaC25H31NO2S
Molecular Weight409.60 g/mol
Exact Mass409.21
IUPAC Name2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1)N(CC1CCC2(CCCCCC2)S1)c1ccccc1
InChIInChI=1S/C25H31NO2S/c27-24(20-28-22-13-7-4-8-14-22)26(21-11-5-3-6-12-21)19-23-15-18-25(29-23)16-9-1-2-10-17-25/h3-8,11-14,23H,1-2,9-10,15-20H2
InChIKeyMZLRGNHQHOQXKU-UHFFFAOYSA-N
XLogP6.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.60
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide
CID 123999214
N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide
CID 135208237
2-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-phenylacetamide
CID 110753047
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
N-(3-methoxyphenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 44579998
N-(4-acetamidophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 44579996
2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide
CID 7717735
N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide
CID 102872589
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 102684381
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 7958845
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide?
The IUPAC name of 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide (CID 138547628) is 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide?
The canonical SMILES for 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide is O=C(COc1ccccc1)N(CC1CCC2(CCCCCC2)S1)c1ccccc1.
What is the InChIKey of 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide?
The InChIKey is MZLRGNHQHOQXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2S/c27-24(20-28-22-13-7-4-8-14-22)26(21-11-5-3-6-12-21)19-23-15-18-25(29-23)16-9-1-2-10-17-25/h3-8,11-14,23H,1-2,9-10,15-20H2.
What are the key properties of 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide?
2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide has a molecular weight of 409.60 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide is sourced from PubChem (CID 138547628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).