2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene

C13H22N2O5S — CID 166240379

IUPAC2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene
SMILESCCOc1cc(NS(=O)(=O)N(C)CCOC)ccc1OC
InChIInChI=1S/C13H22N2O5S/c1-5-20-13-10-11(6-7-12(13)19-4)14-21(16,17)15(2)8-9-18-3/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyIXKJEOWYJPVDPC-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.33
Rot. Bonds9

About 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene

2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene (PubChem CID 166240379) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene
PubChem CID166240379
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene
SMILESCCOc1cc(NS(=O)(=O)N(C)CCOC)ccc1OC
InChIInChI=1S/C13H22N2O5S/c1-5-20-13-10-11(6-7-12(13)19-4)14-21(16,17)15(2)8-9-18-3/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyIXKJEOWYJPVDPC-UHFFFAOYSA-N
XLogP1.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
CID 62997998
1,2-diethoxy-4-(sulfamoylamino)benzene
CID 112573189
3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid
CID 107620926
5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184
2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
CID 107650750
methyl 3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]-4-methylbenzoate
CID 55624593
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
CID 55624724
N-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532
2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide
CID 55895075
ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate
CID 69465529
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene?
The IUPAC name of 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene (CID 166240379) is 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene.
What is the SMILES notation for 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene?
The canonical SMILES for 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene is CCOc1cc(NS(=O)(=O)N(C)CCOC)ccc1OC.
What is the InChIKey of 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene?
The InChIKey is IXKJEOWYJPVDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-5-20-13-10-11(6-7-12(13)19-4)14-21(16,17)15(2)8-9-18-3/h6-7,10,14H,5,8-9H2,1-4H3.
What are the key properties of 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene?
2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene has a molecular weight of 318.40 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene is sourced from PubChem (CID 166240379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).