methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate

C21H26N2O5S — CID 55670206

IUPACmethyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C(=O)OC
InChIInChI=1S/C21H26N2O5S/c1-5-14-21(2,20(25)28-4)22-19(24)16-10-9-13-18(15-16)29(26,27)23(3)17-11-7-6-8-12-17/h6-13,15H,5,14H2,1-4H3,(H,22,24)
InChIKeyQBUKCLFBNXPUNU-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.97
Rot. Bonds8

About methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate

methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate (PubChem CID 55670206) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate
PubChem CID55670206
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Namemethyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C(=O)OC
InChIInChI=1S/C21H26N2O5S/c1-5-14-21(2,20(25)28-4)22-19(24)16-10-9-13-18(15-16)29(26,27)23(3)17-11-7-6-8-12-17/h6-13,15H,5,14H2,1-4H3,(H,22,24)
InChIKeyQBUKCLFBNXPUNU-UHFFFAOYSA-N
XLogP2.97
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

Analyze methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate 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-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
2-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43618545
N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 119521508
[2-(tert-butylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577529
3-[methyl(phenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 18532497
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31839813
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 119668039

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate (CID 55670206) is methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate is CCCC(C)(NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate?
The InChIKey is QBUKCLFBNXPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-5-14-21(2,20(25)28-4)22-19(24)16-10-9-13-18(15-16)29(26,27)23(3)17-11-7-6-8-12-17/h6-13,15H,5,14H2,1-4H3,(H,22,24).
What are the key properties of methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate?
methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate has a molecular weight of 418.52 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoate is sourced from PubChem (CID 55670206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).