(Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide

C16H14N2O6S — CID 94191079

IUPAC(Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2ccco2)c(OC)c1
InChIInChI=1S/C16H14N2O6S/c1-22-12-5-6-15(14(9-12)23-2)25(20,21)18-16(19)11(10-17)8-13-4-3-7-24-13/h3-9H,1-2H3,(H,18,19)/b11-8-
InChIKeyIWIDQNUGYCYDCS-FLIBITNWSA-N
MW362.36 g/mol
LogP1.71
Rot. Bonds6

About (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide

(Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 94191079) has the molecular formula C16H14N2O6S and a molecular weight of 362.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide
PubChem CID94191079
Molecular FormulaC16H14N2O6S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Name(Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2ccco2)c(OC)c1
InChIInChI=1S/C16H14N2O6S/c1-22-12-5-6-15(14(9-12)23-2)25(20,21)18-16(19)11(10-17)8-13-4-3-7-24-13/h3-9H,1-2H3,(H,18,19)/b11-8-
InChIKeyIWIDQNUGYCYDCS-FLIBITNWSA-N
XLogP1.71
TPSA118.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 7912177
[2-(2,4-dimethoxyanilino)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914483
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
2-cyano-N-(furan-2-ylmethyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 4815927
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
(E)-2-cyano-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 19169431
(2S)-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 110348354
(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 954076
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914514

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide (CID 94191079) is (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide is COc1ccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2ccco2)c(OC)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is IWIDQNUGYCYDCS-FLIBITNWSA-N. The full InChI is InChI=1S/C16H14N2O6S/c1-22-12-5-6-15(14(9-12)23-2)25(20,21)18-16(19)11(10-17)8-13-4-3-7-24-13/h3-9H,1-2H3,(H,18,19)/b11-8-.
What are the key properties of (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide?
(Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 362.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,4-dimethoxyphenyl)sulfonyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 94191079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).