(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide

C26H34N2O5S — CID 55687343

IUPAC(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide
SMILESCCOc1ccc(C(NC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)cc1OCC
InChIInChI=1S/C26H34N2O5S/c1-5-32-23-15-10-20(17-24(23)33-6-2)26(18(3)4)27-25(29)16-9-19-7-13-22(14-8-19)34(30,31)28-21-11-12-21/h7-10,13-18,21,26,28H,5-6,11-12H2,1-4H3,(H,27,29)/b16-9+
InChIKeyLYNFCVYSDLHPBW-CXUHLZMHSA-N
MW486.63 g/mol
LogP4.45
Rot. Bonds12

About (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide

(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide (PubChem CID 55687343) has the molecular formula C26H34N2O5S and a molecular weight of 486.63 g/mol. Its IUPAC name is (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide
PubChem CID55687343
Molecular FormulaC26H34N2O5S
Molecular Weight486.63 g/mol
Exact Mass486.22
IUPAC Name(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide
SMILESCCOc1ccc(C(NC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)cc1OCC
InChIInChI=1S/C26H34N2O5S/c1-5-32-23-15-10-20(17-24(23)33-6-2)26(18(3)4)27-25(29)16-9-19-7-13-22(14-8-19)34(30,31)28-21-11-12-21/h7-10,13-18,21,26,28H,5-6,11-12H2,1-4H3,(H,27,29)/b16-9+
InChIKeyLYNFCVYSDLHPBW-CXUHLZMHSA-N
XLogP4.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 54.45
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

4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
CID 46649958
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119274977
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
CID 55687353
4-[[1-(3,4-diethoxyphenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672384
(2R)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92926240
N-cyclopropyl-4-[(E)-3-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-oxoprop-1-enyl]benzenesulfonamide
CID 55689685
N-[(3-bromo-4-methoxyphenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 76879785
(E)-3-(3,4-diethoxyphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 732816
(E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 732818
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide (CID 55687343) is (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide is CCOc1ccc(C(NC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)cc1OCC.
What is the InChIKey of (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide?
The InChIKey is LYNFCVYSDLHPBW-CXUHLZMHSA-N. The full InChI is InChI=1S/C26H34N2O5S/c1-5-32-23-15-10-20(17-24(23)33-6-2)26(18(3)4)27-25(29)16-9-19-7-13-22(14-8-19)34(30,31)28-21-11-12-21/h7-10,13-18,21,26,28H,5-6,11-12H2,1-4H3,(H,27,29)/b16-9+.
What are the key properties of (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide?
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide has a molecular weight of 486.63 g/mol, XLogP of 4.45, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide is sourced from PubChem (CID 55687343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).