(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide

C18H18N2O4S — CID 24632241

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H18N2O4S/c19-25(22,23)12-14-1-5-16(6-2-14)20-18(21)8-4-13-3-7-17-15(11-13)9-10-24-17/h1-8,11H,9-10,12H2,(H,20,21)(H2,19,22,23)/b8-4+
InChIKeyKIVYZCNCRVFOSZ-XBXARRHUSA-N
MW358.42 g/mol
LogP2.06
Rot. Bonds5

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide (PubChem CID 24632241) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide
PubChem CID24632241
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H18N2O4S/c19-25(22,23)12-14-1-5-16(6-2-14)20-18(21)8-4-13-3-7-17-15(11-13)9-10-24-17/h1-8,11H,9-10,12H2,(H,20,21)(H2,19,22,23)/b8-4+
InChIKeyKIVYZCNCRVFOSZ-XBXARRHUSA-N
XLogP2.06
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 35830940
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471751
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 17491868
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 33314257
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368829
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 24584279
4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide
CID 72690281
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[5-(trifluoromethyl)triazol-1-yl]phenyl]prop-2-enamide
CID 51133038
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]prop-2-enamide
CID 55798240
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-prop-2-ynoxyphenyl)prop-2-enamide
CID 72689268

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide (CID 24632241) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide is NS(=O)(=O)Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide?
The InChIKey is KIVYZCNCRVFOSZ-XBXARRHUSA-N. The full InChI is InChI=1S/C18H18N2O4S/c19-25(22,23)12-14-1-5-16(6-2-14)20-18(21)8-4-13-3-7-17-15(11-13)9-10-24-17/h1-8,11H,9-10,12H2,(H,20,21)(H2,19,22,23)/b8-4+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide has a molecular weight of 358.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 24632241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).