N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide

C17H18N2O4S — CID 86858443

IUPACN-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)19(2)15-5-3-14(4-6-15)18-24(21,22)16-7-8-17-13(11-16)9-10-23-17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyVYQBKANZHMFWPK-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.40
Rot. Bonds4

About N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide

N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide (PubChem CID 86858443) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
PubChem CID86858443
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)19(2)15-5-3-14(4-6-15)18-24(21,22)16-7-8-17-13(11-16)9-10-23-17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyVYQBKANZHMFWPK-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3819698
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3837936
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60661387
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375644
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 71271610

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide (CID 86858443) is N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide?
The InChIKey is VYQBKANZHMFWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)19(2)15-5-3-14(4-6-15)18-24(21,22)16-7-8-17-13(11-16)9-10-23-17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide?
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide has a molecular weight of 346.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 86858443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).