(E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

C21H26N2O5S — CID 35364459

IUPAC(E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-5-14-28-20-12-9-17(27-3)15-19(20)23-21(24)13-8-16-6-10-18(11-7-16)29(25,26)22-2/h6-13,15,22H,4-5,14H2,1-3H3,(H,23,24)/b13-8+
InChIKeyUMZZCFRNKNYOAM-MDWZMJQESA-N
MW418.52 g/mol
LogP3.43
Rot. Bonds10

About (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

(E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 35364459) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
PubChem CID35364459
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name(E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-5-14-28-20-12-9-17(27-3)15-19(20)23-21(24)13-8-16-6-10-18(11-7-16)29(25,26)22-2/h6-13,15,22H,4-5,14H2,1-3H3,(H,23,24)/b13-8+
InChIKeyUMZZCFRNKNYOAM-MDWZMJQESA-N
XLogP3.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-butoxy-5-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76861901
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 41287870
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19185169
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42992018
[4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
CID 26414606
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419
3-(3-bromo-4-methoxyphenyl)-N-(2-butoxyphenyl)prop-2-enamide
CID 3609186
4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-N-methylbenzenesulfonamide
CID 9448183
(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6256436
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (CID 35364459) is (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is CCCCOc1ccc(OC)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is UMZZCFRNKNYOAM-MDWZMJQESA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-4-5-14-28-20-12-9-17(27-3)15-19(20)23-21(24)13-8-16-6-10-18(11-7-16)29(25,26)22-2/h6-13,15,22H,4-5,14H2,1-3H3,(H,23,24)/b13-8+.
What are the key properties of (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 418.52 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 35364459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).