N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide

C12H16N2O4S — CID 65375241

IUPACN-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCN(C)C(=O)C1COc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H16N2O4S/c1-3-14(2)12(15)10-7-18-11-5-4-8(6-9(10)11)19(13,16)17/h4-6,10H,3,7H2,1-2H3,(H2,13,16,17)
InChIKeyGBVMRDXBZBEOIB-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.29
Rot. Bonds3

About N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide

N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 65375241) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID65375241
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCN(C)C(=O)C1COc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H16N2O4S/c1-3-14(2)12(15)10-7-18-11-5-4-8(6-9(10)11)19(13,16)17/h4-6,10H,3,7H2,1-2H3,(H2,13,16,17)
InChIKeyGBVMRDXBZBEOIB-UHFFFAOYSA-N
XLogP0.29
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65373485
N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65388913
ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65379594
3-(propan-2-ylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65368604
3-(tert-butylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65370642
oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102608652
3-(cyclopropylmethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372959
3-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372967
cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65382512
3-(cyclobutylmethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372271
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65367607

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 65375241) is N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide is CCN(C)C(=O)C1COc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is GBVMRDXBZBEOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-14(2)12(15)10-7-18-11-5-4-8(6-9(10)11)19(13,16)17/h4-6,10H,3,7H2,1-2H3,(H2,13,16,17).
What are the key properties of N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 65375241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).