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

C18H18N2O4S — CID 35368829

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)/C=C/c1ccc2c(c1)CCO2
InChIInChI=1S/C18H18N2O4S/c1-25(22,23)20-16-5-3-2-4-15(16)19-18(21)9-7-13-6-8-17-14(12-13)10-11-24-17/h2-9,12,20H,10-11H2,1H3,(H,19,21)/b9-7+
InChIKeyCAZOFLLVHNESRC-VQHVLOKHSA-N
MW358.42 g/mol
LogP2.64
Rot. Bonds5

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

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide (PubChem CID 35368829) 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-[2-(methanesulfonamido)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
PubChem CID35368829
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)/C=C/c1ccc2c(c1)CCO2
InChIInChI=1S/C18H18N2O4S/c1-25(22,23)20-16-5-3-2-4-15(16)19-18(21)9-7-13-6-8-17-14(12-13)10-11-24-17/h2-9,12,20H,10-11H2,1H3,(H,19,21)/b9-7+
InChIKeyCAZOFLLVHNESRC-VQHVLOKHSA-N
XLogP2.64
TPSA84.50 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 ≤ 52.64
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)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-hydroxyethyl)phenyl]prop-2-enamide
CID 110904699
(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-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 51297180
(E)-3-(3,4-dichlorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368313
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]prop-2-enamide
CID 55663005
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 17491868
(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368224
(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-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
CID 43402766
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-dimethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115609965
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 33314257

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide (CID 35368829) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide is CS(=O)(=O)Nc1ccccc1NC(=O)/C=C/c1ccc2c(c1)CCO2.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide?
The InChIKey is CAZOFLLVHNESRC-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-25(22,23)20-16-5-3-2-4-15(16)19-18(21)9-7-13-6-8-17-14(12-13)10-11-24-17/h2-9,12,20H,10-11H2,1H3,(H,19,21)/b9-7+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide has a molecular weight of 358.42 g/mol, XLogP of 2.64, 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-[2-(methanesulfonamido)phenyl]prop-2-enamide is sourced from PubChem (CID 35368829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).