N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide

C16H13NO4S — CID 118737273

IUPACN-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(c1)C=CS(=O)(=O)O2
InChIInChI=1S/C16H13NO4S/c18-16(10-12-4-2-1-3-5-12)17-14-6-7-15-13(11-14)8-9-22(19,20)21-15/h1-9,11H,10H2,(H,17,18)
InChIKeyGFOLZNDUNZBHIE-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.56
Rot. Bonds3

About N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide

N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide (PubChem CID 118737273) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide
PubChem CID118737273
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC NameN-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(c1)C=CS(=O)(=O)O2
InChIInChI=1S/C16H13NO4S/c18-16(10-12-4-2-1-3-5-12)17-14-6-7-15-13(11-14)8-9-22(19,20)21-15/h1-9,11H,10H2,(H,17,18)
InChIKeyGFOLZNDUNZBHIE-UHFFFAOYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)benzamide
CID 118737269
(E)-N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 162674534
N-(1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 110728668
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 1369682

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide?
The IUPAC name of N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide (CID 118737273) is N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide?
The canonical SMILES for N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc2c(c1)C=CS(=O)(=O)O2.
What is the InChIKey of N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide?
The InChIKey is GFOLZNDUNZBHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c18-16(10-12-4-2-1-3-5-12)17-14-6-7-15-13(11-14)8-9-22(19,20)21-15/h1-9,11H,10H2,(H,17,18).
What are the key properties of N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide?
N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide has a molecular weight of 315.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dioxo-1,2λ6-benzoxathiin-6-yl)-2-phenylacetamide is sourced from PubChem (CID 118737273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).