(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide

C21H20N2O5S — CID 17109155

IUPAC(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H20N2O5S/c1-27-20-7-3-2-5-16(20)8-13-21(24)23-17-9-11-19(12-10-17)29(25,26)22-15-18-6-4-14-28-18/h2-14,22H,15H2,1H3,(H,23,24)/b13-8+
InChIKeyDGHHDUDNTDZBSI-MDWZMJQESA-N
MW412.47 g/mol
LogP3.42
Rot. Bonds8

About (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 17109155) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID17109155
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H20N2O5S/c1-27-20-7-3-2-5-16(20)8-13-21(24)23-17-9-11-19(12-10-17)29(25,26)22-15-18-6-4-14-28-18/h2-14,22H,15H2,1H3,(H,23,24)/b13-8+
InChIKeyDGHHDUDNTDZBSI-MDWZMJQESA-N
XLogP3.42
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.42
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

3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4844550
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 35864818
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456
(E)-3-(2-methoxyphenyl)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6233562
(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
CID 24604937
3-(2-methoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 4684839
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 26590181
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 6233289
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
4-[(E)-3-(2,2-dimethylhydrazinyl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9163944
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 17109155) is (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is DGHHDUDNTDZBSI-MDWZMJQESA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-27-20-7-3-2-5-16(20)8-13-21(24)23-17-9-11-19(12-10-17)29(25,26)22-15-18-6-4-14-28-18/h2-14,22H,15H2,1H3,(H,23,24)/b13-8+.
What are the key properties of (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 412.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17109155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).