[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

C15H21NO5S — CID 94448571

IUPAC[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCC/C=C\COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H21NO5S/c1-5-6-7-10-21-15(17)12-8-9-13(20-4)14(11-12)22(18,19)16(2)3/h6-9,11H,5,10H2,1-4H3/b7-6-
InChIKeyDGRTXNVWQLOQKF-SREVYHEPSA-N
MW327.40 g/mol
LogP2.07
Rot. Bonds7

About [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (PubChem CID 94448571) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
PubChem CID94448571
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCC/C=C\COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H21NO5S/c1-5-6-7-10-21-15(17)12-8-9-13(20-4)14(11-12)22(18,19)16(2)3/h6-9,11H,5,10H2,1-4H3/b7-6-
InChIKeyDGRTXNVWQLOQKF-SREVYHEPSA-N
XLogP2.07
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate 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

3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283
[2-oxo-2-(propylamino)ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973353
(4-tert-butylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973287
[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973340
(3-methoxyphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 55331142
[(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate
CID 75407234
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 60596778
2-(3-methylphenoxy)ethyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973233
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973541

Frequently Asked Questions

What is the IUPAC name of [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (CID 94448571) is [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is CC/C=C\COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is DGRTXNVWQLOQKF-SREVYHEPSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-5-6-7-10-21-15(17)12-8-9-13(20-4)14(11-12)22(18,19)16(2)3/h6-9,11H,5,10H2,1-4H3/b7-6-.
What are the key properties of [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 327.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 94448571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).