(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide

C20H24N2O5S — CID 39498249

IUPAC(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide
SMILESCNS(=O)(=O)c1cc(/C=C/C(=O)Nc2ccccc2OC(C)C)ccc1OC
InChIInChI=1S/C20H24N2O5S/c1-14(2)27-17-8-6-5-7-16(17)22-20(23)12-10-15-9-11-18(26-4)19(13-15)28(24,25)21-3/h5-14,21H,1-4H3,(H,22,23)/b12-10+
InChIKeyGNMFASFPDKPIRH-ZRDIBKRKSA-N
MW404.49 g/mol
LogP3.04
Rot. Bonds8

About (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide

(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 39498249) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID39498249
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide
SMILESCNS(=O)(=O)c1cc(/C=C/C(=O)Nc2ccccc2OC(C)C)ccc1OC
InChIInChI=1S/C20H24N2O5S/c1-14(2)27-17-8-6-5-7-16(17)22-20(23)12-10-15-9-11-18(26-4)19(13-15)28(24,25)21-3/h5-14,21H,1-4H3,(H,22,23)/b12-10+
InChIKeyGNMFASFPDKPIRH-ZRDIBKRKSA-N
XLogP3.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.04
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

N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698
(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39456289
(E)-N-(2-formylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 89064888
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 55964280
(E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39498979
N-(2,3-dichlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 76859978
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55526444
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 74853242
N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583304
3-[3-[[(Z)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]phenoxy]propanamide
CID 97435163
N-[2-(difluoromethoxy)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 102603110

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide (CID 39498249) is (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide is CNS(=O)(=O)c1cc(/C=C/C(=O)Nc2ccccc2OC(C)C)ccc1OC.
What is the InChIKey of (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is GNMFASFPDKPIRH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14(2)27-17-8-6-5-7-16(17)22-20(23)12-10-15-9-11-18(26-4)19(13-15)28(24,25)21-3/h5-14,21H,1-4H3,(H,22,23)/b12-10+.
What are the key properties of (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 404.49 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 39498249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).