methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate

C21H26N2O5S — CID 31839813

IUPACmethyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O5S/c1-23(18-11-5-3-6-12-18)29(26,27)19-13-9-10-17(16-19)21(25)22-15-8-4-7-14-20(24)28-2/h3,5-6,9-13,16H,4,7-8,14-15H2,1-2H3,(H,22,25)
InChIKeyPULXTKVKFRBSTP-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.97
Rot. Bonds10

About methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate

methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate (PubChem CID 31839813) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate
PubChem CID31839813
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Namemethyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O5S/c1-23(18-11-5-3-6-12-18)29(26,27)19-13-9-10-17(16-19)21(25)22-15-8-4-7-14-20(24)28-2/h3,5-6,9-13,16H,4,7-8,14-15H2,1-2H3,(H,22,25)
InChIKeyPULXTKVKFRBSTP-UHFFFAOYSA-N
XLogP2.97
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate 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-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
methyl 7-[(3-phenoxybenzoyl)amino]heptanoate
CID 36622065
methyl 6-[(3-phenoxybenzoyl)amino]hexanoate
CID 31839416
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 2331691
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 120831499
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate (CID 31839813) is methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate is COC(=O)CCCCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate?
The InChIKey is PULXTKVKFRBSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-23(18-11-5-3-6-12-18)29(26,27)19-13-9-10-17(16-19)21(25)22-15-8-4-7-14-20(24)28-2/h3,5-6,9-13,16H,4,7-8,14-15H2,1-2H3,(H,22,25).
What are the key properties of methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate?
methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate has a molecular weight of 418.52 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate is sourced from PubChem (CID 31839813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).