methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate

C17H26N2O5S — CID 55609572

IUPACmethyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(C)C(=O)OC)ccc1C
InChIInChI=1S/C17H26N2O5S/c1-7-19(8-2)25(22,23)14-11-13(10-9-12(14)3)15(20)18-17(4,5)16(21)24-6/h9-11H,7-8H2,1-6H3,(H,18,20)
InChIKeyBCMSMOWGYZJDHS-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.71
Rot. Bonds7

About methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate

methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate (PubChem CID 55609572) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate
PubChem CID55609572
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Namemethyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(C)C(=O)OC)ccc1C
InChIInChI=1S/C17H26N2O5S/c1-7-19(8-2)25(22,23)14-11-13(10-9-12(14)3)15(20)18-17(4,5)16(21)24-6/h9-11H,7-8H2,1-6H3,(H,18,20)
InChIKeyBCMSMOWGYZJDHS-UHFFFAOYSA-N
XLogP1.71
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate 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,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119571500
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
CID 26457205
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 4289965
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate (CID 55609572) is methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(C)C(=O)OC)ccc1C.
What is the InChIKey of methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate?
The InChIKey is BCMSMOWGYZJDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-7-19(8-2)25(22,23)14-11-13(10-9-12(14)3)15(20)18-17(4,5)16(21)24-6/h9-11H,7-8H2,1-6H3,(H,18,20).
What are the key properties of methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate?
methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate has a molecular weight of 370.47 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 55609572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).