N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide

C19H20N2O6S — CID 132766155

IUPACN-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide
SMILESCCC1Oc2ccc(S(=O)(=O)NC(=O)Cc3ccccc3OC)cc2NC1=O
InChIInChI=1S/C19H20N2O6S/c1-3-15-19(23)20-14-11-13(8-9-17(14)27-15)28(24,25)21-18(22)10-12-6-4-5-7-16(12)26-2/h4-9,11,15H,3,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQDQNCGBCAMOENL-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.85
Rot. Bonds6

About N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide

N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 132766155) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide
PubChem CID132766155
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide
SMILESCCC1Oc2ccc(S(=O)(=O)NC(=O)Cc3ccccc3OC)cc2NC1=O
InChIInChI=1S/C19H20N2O6S/c1-3-15-19(23)20-14-11-13(8-9-17(14)27-15)28(24,25)21-18(22)10-12-6-4-5-7-16(12)26-2/h4-9,11,15H,3,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQDQNCGBCAMOENL-UHFFFAOYSA-N
XLogP1.85
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228731
N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355179
3-(1,3-dimethylpyrazol-4-yl)-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanamide
CID 132766200
2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355158
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide
CID 132765285
4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide
CID 132766939
1-acetyl-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 132765953
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 132766229
(2S)-2-butyl-N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 124846419
1-[[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 95068651
(2S)-6-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]sulfonyl-2-ethyl-4H-1,4-benzoxazin-3-one
CID 95067543
(2S)-2-ethyl-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 95067595

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide (CID 132766155) is N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide is CCC1Oc2ccc(S(=O)(=O)NC(=O)Cc3ccccc3OC)cc2NC1=O.
What is the InChIKey of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is QDQNCGBCAMOENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-3-15-19(23)20-14-11-13(8-9-17(14)27-15)28(24,25)21-18(22)10-12-6-4-5-7-16(12)26-2/h4-9,11,15H,3,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide?
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 404.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 132766155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).