N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide

C24H26N2O7S — CID 23408625

IUPACN-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide
SMILESC=CCN1C(=O)COc2ccc(C(=O)C(C)S(=O)(=O)CC(=O)Nc3ccccc3OCC)cc21
InChIInChI=1S/C24H26N2O7S/c1-4-12-26-19-13-17(10-11-21(19)33-14-23(26)28)24(29)16(3)34(30,31)15-22(27)25-18-8-6-7-9-20(18)32-5-2/h4,6-11,13,16H,1,5,12,14-15H2,2-3H3,(H,25,27)
InChIKeyFBAHPOLMEQJJOP-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.62
Rot. Bonds10

About N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide

N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide (PubChem CID 23408625) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide
PubChem CID23408625
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC NameN-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide
SMILESC=CCN1C(=O)COc2ccc(C(=O)C(C)S(=O)(=O)CC(=O)Nc3ccccc3OCC)cc21
InChIInChI=1S/C24H26N2O7S/c1-4-12-26-19-13-17(10-11-21(19)33-14-23(26)28)24(29)16(3)34(30,31)15-22(27)25-18-8-6-7-9-20(18)32-5-2/h4,6-11,13,16H,1,5,12,14-15H2,2-3H3,(H,25,27)
InChIKeyFBAHPOLMEQJJOP-UHFFFAOYSA-N
XLogP2.62
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide 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-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide
CID 23408325
2-[1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]sulfonyl-N-phenylacetamide
CID 23408383
N-(4-ethoxyphenyl)-2-[1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]sulfonylacetamide
CID 23408380
N-(2-ethoxy-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 87027116
4-[2-(2-ethylanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012300
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
N-(2-ethoxyphenyl)-2-[[4-methyl-5-[(1R)-1-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 92894505
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2993235
N-(2-methoxyphenyl)-2-[3-oxo-6-(1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide
CID 39086098
6-[3-(2-chlorophenyl)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 123781541
N-(2-methoxyphenyl)-5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 23409085

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide (CID 23408625) is N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide is C=CCN1C(=O)COc2ccc(C(=O)C(C)S(=O)(=O)CC(=O)Nc3ccccc3OCC)cc21.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide?
The InChIKey is FBAHPOLMEQJJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-4-12-26-19-13-17(10-11-21(19)33-14-23(26)28)24(29)16(3)34(30,31)15-22(27)25-18-8-6-7-9-20(18)32-5-2/h4,6-11,13,16H,1,5,12,14-15H2,2-3H3,(H,25,27).
What are the key properties of N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide?
N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide has a molecular weight of 486.55 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide is sourced from PubChem (CID 23408625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).