2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C22H27N3O6S — CID 122175522

IUPAC2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1OC)C(=O)CO2
InChIInChI=1S/C22H27N3O6S/c1-4-24(5-2)32(28,29)17-10-11-20-18(12-17)25(22(27)15-31-20)14-21(26)23-13-16-8-6-7-9-19(16)30-3/h6-12H,4-5,13-15H2,1-3H3,(H,23,26)
InChIKeyCZUXXSBHQJTTQQ-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.77
Rot. Bonds9

About 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 122175522) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID122175522
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1OC)C(=O)CO2
InChIInChI=1S/C22H27N3O6S/c1-4-24(5-2)32(28,29)17-10-11-20-18(12-17)25(22(27)15-31-20)14-21(26)23-13-16-8-6-7-9-19(16)30-3/h6-12H,4-5,13-15H2,1-3H3,(H,23,26)
InChIKeyCZUXXSBHQJTTQQ-UHFFFAOYSA-N
XLogP1.77
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20861488
N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012378
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
CID 46255551
N-butyl-2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 122175525
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 20861509
N,N-diethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-sulfonamide
CID 20861516
N-[(2-chlorophenyl)methyl]-2-[6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20876686
4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012348
2-[benzenesulfonyl(ethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45372043
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45372487
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 20861524
N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide
CID 20861521

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 122175522) is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1OC)C(=O)CO2.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is CZUXXSBHQJTTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-4-24(5-2)32(28,29)17-10-11-20-18(12-17)25(22(27)15-31-20)14-21(26)23-13-16-8-6-7-9-19(16)30-3/h6-12H,4-5,13-15H2,1-3H3,(H,23,26).
What are the key properties of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 461.54 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 122175522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).