N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide

C25H25NO5S — CID 10182459

IUPACN-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
SMILESO=C(NOC1CCCCO1)c1ccccc1S(=O)(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25NO5S/c27-25(26-31-24-12-6-7-17-30-24)22-10-4-5-11-23(22)32(28,29)18-19-13-15-21(16-14-19)20-8-2-1-3-9-20/h1-5,8-11,13-16,24H,6-7,12,17-18H2,(H,26,27)
InChIKeyYQIHIHQSAMRNBR-UHFFFAOYSA-N
MW451.54 g/mol
LogP4.52
Rot. Bonds7

About N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide

N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide (PubChem CID 10182459) has the molecular formula C25H25NO5S and a molecular weight of 451.54 g/mol. Its IUPAC name is N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
PubChem CID10182459
Molecular FormulaC25H25NO5S
Molecular Weight451.54 g/mol
Exact Mass451.15
IUPAC NameN-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
SMILESO=C(NOC1CCCCO1)c1ccccc1S(=O)(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25NO5S/c27-25(26-31-24-12-6-7-17-30-24)22-10-4-5-11-23(22)32(28,29)18-19-13-15-21(16-14-19)20-8-2-1-3-9-20/h1-5,8-11,13-16,24H,6-7,12,17-18H2,(H,26,27)
InChIKeyYQIHIHQSAMRNBR-UHFFFAOYSA-N
XLogP4.52
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxan-2-yloxy)-3-[(4-phenylphenyl)methylsulfonyl]cyclohepta-2,4,6-triene-1-carboxamide
CID 142096123
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
CID 60613305
5-ethyl-2-hydroxy-N-[(2R)-oxan-2-yl]oxybenzamide
CID 95301604
N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide
CID 99792755
2-methyl-4-(2-methyl-4-phenylphenyl)-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide
CID 86668756
2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-3-[4-(4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 134362419
5-ethyl-N-(oxan-2-yloxy)furan-2-carboxamide
CID 60613092
2-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-N-(oxan-2-yloxy)benzamide
CID 20613339
oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate
CID 21464246
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide
CID 52829074

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide?
The IUPAC name of N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide (CID 10182459) is N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide.
What is the SMILES notation for N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide?
The canonical SMILES for N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide is O=C(NOC1CCCCO1)c1ccccc1S(=O)(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide?
The InChIKey is YQIHIHQSAMRNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5S/c27-25(26-31-24-12-6-7-17-30-24)22-10-4-5-11-23(22)32(28,29)18-19-13-15-21(16-14-19)20-8-2-1-3-9-20/h1-5,8-11,13-16,24H,6-7,12,17-18H2,(H,26,27).
What are the key properties of N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide?
N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide has a molecular weight of 451.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide is sourced from PubChem (CID 10182459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).