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

C14H20N2O4S — CID 65373485

IUPACN-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCCCN(C)C(=O)C1COc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H20N2O4S/c1-3-4-7-16(2)14(17)12-9-20-13-6-5-10(8-11(12)13)21(15,18)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,15,18,19)
InChIKeyYOWIJOKFZZYONP-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.07
Rot. Bonds5

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

N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 65373485) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID65373485
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCCCN(C)C(=O)C1COc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H20N2O4S/c1-3-4-7-16(2)14(17)12-9-20-13-6-5-10(8-11(12)13)21(15,18)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,15,18,19)
InChIKeyYOWIJOKFZZYONP-UHFFFAOYSA-N
XLogP1.07
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65375241
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
1-(1,3-benzodioxol-5-ylsulfonyl)-N-butyl-N-methylpiperidine-4-carboxamide
CID 113005716
1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138562
oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102608652
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
CID 108508773
cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65382512
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
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
N-butyl-N-methyl-3-nitro-5-sulfamoylbenzamide
CID 65373486

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 65373485) is N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide is CCCCN(C)C(=O)C1COc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is YOWIJOKFZZYONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-4-7-16(2)14(17)12-9-20-13-6-5-10(8-11(12)13)21(15,18)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,15,18,19).
What are the key properties of N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 65373485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).