(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide

C21H22N2O5S — CID 24595962

IUPAC(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)oc12
InChIInChI=1S/C21H22N2O5S/c1-14(2)23-29(25,26)18-10-7-16(8-11-18)22-20(24)12-9-17-13-15-5-4-6-19(27-3)21(15)28-17/h4-14,23H,1-3H3,(H,22,24)/b12-9+
InChIKeyFFFWBRACFVILTC-FMIVXFBMSA-N
MW414.48 g/mol
LogP3.78
Rot. Bonds7

About (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide

(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 24595962) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
PubChem CID24595962
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)oc12
InChIInChI=1S/C21H22N2O5S/c1-14(2)23-29(25,26)18-10-7-16(8-11-18)22-20(24)12-9-17-13-15-5-4-6-19(27-3)21(15)28-17/h4-14,23H,1-3H3,(H,22,24)/b12-9+
InChIKeyFFFWBRACFVILTC-FMIVXFBMSA-N
XLogP3.78
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide
CID 17453511
(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
CID 24604937
(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide
CID 24605010
methyl (E)-4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]but-2-enoate
CID 166316992
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 24592521
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
(E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 51370810
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
3-(2-methoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 4684839
7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46763363

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide (CID 24595962) is (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide is COc1cccc2cc(/C=C/C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)oc12.
What is the InChIKey of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is FFFWBRACFVILTC-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-14(2)23-29(25,26)18-10-7-16(8-11-18)22-20(24)12-9-17-13-15-5-4-6-19(27-3)21(15)28-17/h4-14,23H,1-3H3,(H,22,24)/b12-9+.
What are the key properties of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 414.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 24595962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).