N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide

C18H18N2O5S — CID 110677099

IUPACN-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
SMILESCCn1c(=O)oc(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C18H18N2O5S/c1-3-20-16-10-9-14(11-15(16)17(21)25-18(20)22)26(23,24)19(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
InChIKeyASURXIMZVDDJOP-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.80
Rot. Bonds5

About N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide

N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide (PubChem CID 110677099) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
PubChem CID110677099
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
SMILESCCn1c(=O)oc(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C18H18N2O5S/c1-3-20-16-10-9-14(11-15(16)17(21)25-18(20)22)26(23,24)19(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
InChIKeyASURXIMZVDDJOP-UHFFFAOYSA-N
XLogP1.80
TPSA89.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide
CID 110677114
N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53075048
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 6619734
N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677089
6-(azepan-1-ylsulfonyl)-1-ethyl-3,1-benzoxazine-2,4-dione
CID 110677110
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677116
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide (CID 110677099) is N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide is CCn1c(=O)oc(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
The InChIKey is ASURXIMZVDDJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-3-20-16-10-9-14(11-15(16)17(21)25-18(20)22)26(23,24)19(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110677099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).