N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide

C24H30N2O7S — CID 54272642

IUPACN-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide
SMILESO=C(CC1(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NOC1CCCCO1
InChIInChI=1S/C24H30N2O7S/c27-22(25-33-23-8-4-5-15-31-23)18-24(13-16-30-17-14-24)26-34(28,29)21-11-9-20(10-12-21)32-19-6-2-1-3-7-19/h1-3,6-7,9-12,23,26H,4-5,8,13-18H2,(H,25,27)
InChIKeyRLFRJDHCQQDRSU-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.27
Rot. Bonds9

About N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide

N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide (PubChem CID 54272642) has the molecular formula C24H30N2O7S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide
PubChem CID54272642
Molecular FormulaC24H30N2O7S
Molecular Weight490.58 g/mol
Exact Mass490.18
IUPAC NameN-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide
SMILESO=C(CC1(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NOC1CCCCO1
InChIInChI=1S/C24H30N2O7S/c27-22(25-33-23-8-4-5-15-31-23)18-24(13-16-30-17-14-24)26-34(28,29)21-11-9-20(10-12-21)32-19-6-2-1-3-7-19/h1-3,6-7,9-12,23,26H,4-5,8,13-18H2,(H,25,27)
InChIKeyRLFRJDHCQQDRSU-UHFFFAOYSA-N
XLogP3.27
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-(oxan-2-yloxy)oxane-4-carboxamide
CID 11496929
2-[2-[4-(4-fluorophenoxy)phenyl]thian-2-yl]-N-(oxan-2-yloxy)acetamide
CID 11259366
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
2-[1,1-dioxo-7-(4-phenoxyphenyl)-4-(pyrazine-2-carbonyl)-1,4-thiazepan-7-yl]-N-(oxan-2-yloxy)acetamide
CID 22276651
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
N-(oxan-2-yloxy)-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonyloxane-4-carboxamide;4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]sulfonyloxane-4-carboxylic acid
CID 160746555
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 95972380
2-[7-[4-(4-chlorophenoxy)phenyl]-4-(dimethylsulfamoyl)-1,1-dioxo-1,4-thiazepan-7-yl]-N-(oxan-2-yloxy)acetamide
CID 87976866
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide?
The IUPAC name of N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide (CID 54272642) is N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide.
What is the SMILES notation for N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide?
The canonical SMILES for N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide is O=C(CC1(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NOC1CCCCO1.
What is the InChIKey of N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide?
The InChIKey is RLFRJDHCQQDRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7S/c27-22(25-33-23-8-4-5-15-31-23)18-24(13-16-30-17-14-24)26-34(28,29)21-11-9-20(10-12-21)32-19-6-2-1-3-7-19/h1-3,6-7,9-12,23,26H,4-5,8,13-18H2,(H,25,27).
What are the key properties of N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide?
N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide has a molecular weight of 490.58 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)-2-[4-[(4-phenoxyphenyl)sulfonylamino]oxan-4-yl]acetamide is sourced from PubChem (CID 54272642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).