ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate

C11H16N2O6S — CID 26970116

IUPACethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H16N2O6S/c1-4-19-11(14)12-13-20(15,16)8-5-6-9(17-2)10(7-8)18-3/h5-7,13H,4H2,1-3H3,(H,12,14)
InChIKeySTRYGPTVXOGAQY-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.64
Rot. Bonds6

About ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate

ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate (PubChem CID 26970116) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
PubChem CID26970116
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Nameethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H16N2O6S/c1-4-19-11(14)12-13-20(15,16)8-5-6-9(17-2)10(7-8)18-3/h5-7,13H,4H2,1-3H3,(H,12,14)
InChIKeySTRYGPTVXOGAQY-UHFFFAOYSA-N
XLogP0.64
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3,4-dimethoxyphenyl)sulfonylamino]thiourea
CID 65214843
ethyl N-[(4-bromo-3-methylphenyl)sulfonylamino]carbamate
CID 2697001
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841330
diethyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]pentanedioate
CID 6735010
2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
CID 8505175
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylbutanamide
CID 47115056
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea
CID 65214109
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
[3-(ethoxycarbonylamino)phenyl] 3,4-dimethoxybenzenesulfonate
CID 32939387

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate?
The IUPAC name of ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate (CID 26970116) is ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate.
What is the SMILES notation for ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate?
The canonical SMILES for ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate is CCOC(=O)NNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate?
The InChIKey is STRYGPTVXOGAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-4-19-11(14)12-13-20(15,16)8-5-6-9(17-2)10(7-8)18-3/h5-7,13H,4H2,1-3H3,(H,12,14).
What are the key properties of ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate?
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate has a molecular weight of 304.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate is sourced from PubChem (CID 26970116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).