N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide

C22H24N2O7S — CID 23408325

IUPACN-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide
SMILESCCOc1ccccc1NC(=O)CS(=O)(=O)CC(=O)c1ccc2c(c1)N(CC)C(=O)CO2
InChIInChI=1S/C22H24N2O7S/c1-3-24-17-11-15(9-10-20(17)31-12-22(24)27)18(25)13-32(28,29)14-21(26)23-16-7-5-6-8-19(16)30-4-2/h5-11H,3-4,12-14H2,1-2H3,(H,23,26)
InChIKeyOHMKSHBBHRIPTJ-UHFFFAOYSA-N
MW460.51 g/mol
LogP2.07
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide

N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide (PubChem CID 23408325) has the molecular formula C22H24N2O7S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide
PubChem CID23408325
Molecular FormulaC22H24N2O7S
Molecular Weight460.51 g/mol
Exact Mass460.13
IUPAC NameN-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide
SMILESCCOc1ccccc1NC(=O)CS(=O)(=O)CC(=O)c1ccc2c(c1)N(CC)C(=O)CO2
InChIInChI=1S/C22H24N2O7S/c1-3-24-17-11-15(9-10-20(17)31-12-22(24)27)18(25)13-32(28,29)14-21(26)23-16-7-5-6-8-19(16)30-4-2/h5-11H,3-4,12-14H2,1-2H3,(H,23,26)
InChIKeyOHMKSHBBHRIPTJ-UHFFFAOYSA-N
XLogP2.07
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxyphenyl)-2-[1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]sulfonylacetamide
CID 23408625
N-(4-fluorophenyl)-2-[2-oxo-2-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
CID 23408497
N-(4-ethoxyphenyl)-2-[1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]sulfonylacetamide
CID 23408380
2-[1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]sulfonyl-N-phenylacetamide
CID 23408383
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425
3-[[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 94723734
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-ethyl-2-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]acetamide
CID 42847180
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
N-(2-ethylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53012227

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide (CID 23408325) is N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide is CCOc1ccccc1NC(=O)CS(=O)(=O)CC(=O)c1ccc2c(c1)N(CC)C(=O)CO2.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide?
The InChIKey is OHMKSHBBHRIPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7S/c1-3-24-17-11-15(9-10-20(17)31-12-22(24)27)18(25)13-32(28,29)14-21(26)23-16-7-5-6-8-19(16)30-4-2/h5-11H,3-4,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide?
N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide has a molecular weight of 460.51 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 23408325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).