(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide

C21H19ClN2O5S — CID 126198474

IUPAC(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H19ClN2O5S/c1-28-20-11-7-15(22)13-19(20)24-21(25)12-10-16-8-9-17(29-16)14-23-30(26,27)18-5-3-2-4-6-18/h2-13,23H,14H2,1H3,(H,24,25)/b12-10+
InChIKeyBTVJSYHBRFHVSH-ZRDIBKRKSA-N
MW446.91 g/mol
LogP4.07
Rot. Bonds8

About (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide

(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide (PubChem CID 126198474) has the molecular formula C21H19ClN2O5S and a molecular weight of 446.91 g/mol. Its IUPAC name is (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
PubChem CID126198474
Molecular FormulaC21H19ClN2O5S
Molecular Weight446.91 g/mol
Exact Mass446.07
IUPAC Name(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H19ClN2O5S/c1-28-20-11-7-15(22)13-19(20)24-21(25)12-10-16-8-9-17(29-16)14-23-30(26,27)18-5-3-2-4-6-18/h2-13,23H,14H2,1H3,(H,24,25)/b12-10+
InChIKeyBTVJSYHBRFHVSH-ZRDIBKRKSA-N
XLogP4.07
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 54.07
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

(E)-N-(5-chloro-2-methoxyphenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671381
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 126198755
3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 4014656
(E)-3-(5-bromofuran-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 26582535
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 126197089
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671416
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
(E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
CID 9073408
(E)-N-(2,5-dichlorophenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671353

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide (CID 126198474) is (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide is COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide?
The InChIKey is BTVJSYHBRFHVSH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H19ClN2O5S/c1-28-20-11-7-15(22)13-19(20)24-21(25)12-10-16-8-9-17(29-16)14-23-30(26,27)18-5-3-2-4-6-18/h2-13,23H,14H2,1H3,(H,24,25)/b12-10+.
What are the key properties of (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide?
(E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide has a molecular weight of 446.91 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(benzenesulfonamidomethyl)furan-2-yl]-N-(5-chloro-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 126198474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).