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

C18H27N3O7S — CID 46255551

IUPAC2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC(OC)OC)C(=O)CO2
InChIInChI=1S/C18H27N3O7S/c1-5-20(6-2)29(24,25)13-7-8-15-14(9-13)21(17(23)12-28-15)11-16(22)19-10-18(26-3)27-4/h7-9,18H,5-6,10-12H2,1-4H3,(H,19,22)
InChIKeyQSHRKMKEDIOWNR-UHFFFAOYSA-N
MW429.50 g/mol
LogP0.18
Rot. Bonds10

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

2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide (PubChem CID 46255551) has the molecular formula C18H27N3O7S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
PubChem CID46255551
Molecular FormulaC18H27N3O7S
Molecular Weight429.50 g/mol
Exact Mass429.16
IUPAC Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC(OC)OC)C(=O)CO2
InChIInChI=1S/C18H27N3O7S/c1-5-20(6-2)29(24,25)13-7-8-15-14(9-13)21(17(23)12-28-15)11-16(22)19-10-18(26-3)27-4/h7-9,18H,5-6,10-12H2,1-4H3,(H,19,22)
InChIKeyQSHRKMKEDIOWNR-UHFFFAOYSA-N
XLogP0.18
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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-[(2-methoxyphenyl)methyl]acetamide
CID 122175522
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 20861509
N-[(2-chlorophenyl)methyl]-2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20861488
N,N-diethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-sulfonamide
CID 20861516
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
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 20861523
N,N-diethyl-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110758990
1-[2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetyl]piperidine-4-carboxamide
CID 20968950
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylpropyl)acetamide
CID 42787928
2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-propan-2-ylacetamide
CID 20861558

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide (CID 46255551) is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC(OC)OC)C(=O)CO2.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide?
The InChIKey is QSHRKMKEDIOWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O7S/c1-5-20(6-2)29(24,25)13-7-8-15-14(9-13)21(17(23)12-28-15)11-16(22)19-10-18(26-3)27-4/h7-9,18H,5-6,10-12H2,1-4H3,(H,19,22).
What are the key properties of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide?
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide has a molecular weight of 429.50 g/mol, XLogP of 0.18, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide is sourced from PubChem (CID 46255551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).