(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide

C16H17NO6S — CID 75401971

IUPAC(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(C)o2)cc1OC
InChIInChI=1S/C16H17NO6S/c1-11-4-5-12(23-11)6-9-16(18)17-24(19,20)13-7-8-14(21-2)15(10-13)22-3/h4-10H,1-3H3,(H,17,18)/b9-6+
InChIKeyFMGDALKGRGLWIG-RMKNXTFCSA-N
MW351.38 g/mol
LogP2.12
Rot. Bonds6

About (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 75401971) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID75401971
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(C)o2)cc1OC
InChIInChI=1S/C16H17NO6S/c1-11-4-5-12(23-11)6-9-16(18)17-24(19,20)13-7-8-14(21-2)15(10-13)22-3/h4-10H,1-3H3,(H,17,18)/b9-6+
InChIKeyFMGDALKGRGLWIG-RMKNXTFCSA-N
XLogP2.12
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide
CID 91942457
3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110517456
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26101754
N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71879499
(E)-N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75462529
4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 51162629
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 15945387
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide
CID 56814792

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 75401971) is (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide is COc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccc(C)o2)cc1OC.
What is the InChIKey of (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is FMGDALKGRGLWIG-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-11-4-5-12(23-11)6-9-16(18)17-24(19,20)13-7-8-14(21-2)15(10-13)22-3/h4-10H,1-3H3,(H,17,18)/b9-6+.
What are the key properties of (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 351.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 75401971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).