3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide

C20H20N2O4S — CID 74633280

IUPAC3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C=Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C20H20N2O4S/c1-15-6-9-18(10-7-15)27(24,25)22-13-12-21-20(23)11-8-17-14-16-4-2-3-5-19(16)26-17/h2-11,14,22H,12-13H2,1H3,(H,21,23)
InChIKeyYPDDOVBAZBZFNL-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.85
Rot. Bonds7

About 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide

3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide (PubChem CID 74633280) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide
PubChem CID74633280
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C=Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C20H20N2O4S/c1-15-6-9-18(10-7-15)27(24,25)22-13-12-21-20(23)11-8-17-14-16-4-2-3-5-19(16)26-17/h2-11,14,22H,12-13H2,1H3,(H,21,23)
InChIKeyYPDDOVBAZBZFNL-UHFFFAOYSA-N
XLogP2.85
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide
CID 51370904
(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39400764
(E)-3-(1-benzofuran-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-enamide
CID 78861524
(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 39394629
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
(E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide
CID 33426934
(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 32996503
(Z)-3-(1,3-benzoxazol-2-yl)-N-[2-(methanesulfonamido)ethyl]prop-2-enamide
CID 94653719
methyl 2-[3-(1-benzofuran-2-yl)prop-2-enoylamino]-3-methylpentanoate
CID 78832923
(E)-3-(2-aminopyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]prop-2-enamide
CID 131924333

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide (CID 74633280) is 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide is Cc1ccc(S(=O)(=O)NCCNC(=O)C=Cc2cc3ccccc3o2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide?
The InChIKey is YPDDOVBAZBZFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-15-6-9-18(10-7-15)27(24,25)22-13-12-21-20(23)11-8-17-14-16-4-2-3-5-19(16)26-17/h2-11,14,22H,12-13H2,1H3,(H,21,23).
What are the key properties of 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide?
3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide has a molecular weight of 384.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide is sourced from PubChem (CID 74633280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).