N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide

C19H20N2O5S — CID 126458893

IUPACN-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C19H20N2O5S/c1-2-13-5-3-4-6-15(13)20-18(22)9-10-27(24,25)14-7-8-16-17(11-14)26-12-19(23)21-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyNPLLJXNVRGOVFN-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.38
Rot. Bonds6

About N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide

N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide (PubChem CID 126458893) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
PubChem CID126458893
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C19H20N2O5S/c1-2-13-5-3-4-6-15(13)20-18(22)9-10-27(24,25)14-7-8-16-17(11-14)26-12-19(23)21-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyNPLLJXNVRGOVFN-UHFFFAOYSA-N
XLogP2.38
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 126458764
3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126459378
3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoic acid
CID 146018163
3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 126458836
N-(3-chloro-4-fluorophenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 126457865
N-(2-methylcyclohexyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 126457750
N-(2-fluorophenyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 22551261
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653
N-(4-ethoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanamide
CID 22551344
7-(3-oxo-3-piperidin-1-ylpropyl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 126459857
methyl 4-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoylamino]benzoate
CID 22551405
3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 22551363

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide (CID 126458893) is N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide is CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide?
The InChIKey is NPLLJXNVRGOVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-2-13-5-3-4-6-15(13)20-18(22)9-10-27(24,25)14-7-8-16-17(11-14)26-12-19(23)21-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide?
N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide has a molecular weight of 388.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide is sourced from PubChem (CID 126458893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).