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

C14H20N2O4S — CID 65388913

IUPACN-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCC(C)N(C)C(=O)C1COc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H20N2O4S/c1-4-9(2)16(3)14(17)12-8-20-13-6-5-10(7-11(12)13)21(15,18)19/h5-7,9,12H,4,8H2,1-3H3,(H2,15,18,19)
InChIKeyBBATUXJDDZABHV-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.07
Rot. Bonds4

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

N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 65388913) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID65388913
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCC(C)N(C)C(=O)C1COc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H20N2O4S/c1-4-9(2)16(3)14(17)12-8-20-13-6-5-10(7-11(12)13)21(15,18)19/h5-7,9,12H,4,8H2,1-3H3,(H2,15,18,19)
InChIKeyBBATUXJDDZABHV-UHFFFAOYSA-N
XLogP1.07
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65373485
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
oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102608652
cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65382512
3-(tert-butylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65370642
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone
CID 117201759
3-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372967
3-(cyclopropylmethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372959
3-(cyclobutylmethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372271

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 65388913) is N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide is CCC(C)N(C)C(=O)C1COc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is BBATUXJDDZABHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-9(2)16(3)14(17)12-8-20-13-6-5-10(7-11(12)13)21(15,18)19/h5-7,9,12H,4,8H2,1-3H3,(H2,15,18,19).
What are the key properties of N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide?
N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 65388913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).