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

C18H15ClN2O6S — CID 23408145

IUPACN-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O6S/c19-12-2-4-13(5-3-12)20-18(24)10-28(25,26)9-15(22)11-1-6-16-14(7-11)21-17(23)8-27-16/h1-7H,8-10H2,(H,20,24)(H,21,23)
InChIKeyFUMWOKMNULFAJI-UHFFFAOYSA-N
MW422.85 g/mol
LogP1.91
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide (PubChem CID 23408145) has the molecular formula C18H15ClN2O6S and a molecular weight of 422.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
PubChem CID23408145
Molecular FormulaC18H15ClN2O6S
Molecular Weight422.85 g/mol
Exact Mass422.03
IUPAC NameN-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O6S/c19-12-2-4-13(5-3-12)20-18(24)10-28(25,26)9-15(22)11-1-6-16-14(7-11)21-17(23)8-27-16/h1-7H,8-10H2,(H,20,24)(H,21,23)
InChIKeyFUMWOKMNULFAJI-UHFFFAOYSA-N
XLogP1.91
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
CID 23408144
N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344996
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
3-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51153528
6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
6-(4-aminobutanoyl)-4H-1,4-benzoxazin-3-one
CID 82339476
6-[3-[di(propan-2-yl)amino]propanoyl]-4H-1,4-benzoxazin-3-one
CID 59028425

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide (CID 23408145) is N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide is O=C(CS(=O)(=O)CC(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide?
The InChIKey is FUMWOKMNULFAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O6S/c19-12-2-4-13(5-3-12)20-18(24)10-28(25,26)9-15(22)11-1-6-16-14(7-11)21-17(23)8-27-16/h1-7H,8-10H2,(H,20,24)(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide?
N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide has a molecular weight of 422.85 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide is sourced from PubChem (CID 23408145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).