[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate

C19H22N2O5S — CID 46660030

IUPAC[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)N(C)Cc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-13-9-10-16(11-17(13)27(20,24)25)19(23)26-14(2)18(22)21(3)12-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H2,20,24,25)
InChIKeyGYWRVBLWLAETPV-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.85
Rot. Bonds6

About [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate (PubChem CID 46660030) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate
PubChem CID46660030
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)N(C)Cc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-13-9-10-16(11-17(13)27(20,24)25)19(23)26-14(2)18(22)21(3)12-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H2,20,24,25)
InChIKeyGYWRVBLWLAETPV-UHFFFAOYSA-N
XLogP1.85
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate 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

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(benzylsulfamoyl)-4-methylbenzoate
CID 55380208
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 42968641
4-O-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42898779
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 46789221
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7666770
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-methyl-3-sulfamoylbenzoate
CID 46660014
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 43012211
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 2123017
(2-oxo-1,2-diphenylethyl) 4-methyl-3-sulfamoylbenzoate
CID 55427927
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-methyl-3-sulfamoylbenzoate
CID 55568521
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792773

Frequently Asked Questions

What is the IUPAC name of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate?
The IUPAC name of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate (CID 46660030) is [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate.
What is the SMILES notation for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate?
The canonical SMILES for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate is Cc1ccc(C(=O)OC(C)C(=O)N(C)Cc2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate?
The InChIKey is GYWRVBLWLAETPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-9-10-16(11-17(13)27(20,24)25)19(23)26-14(2)18(22)21(3)12-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H2,20,24,25).
What are the key properties of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate?
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate has a molecular weight of 390.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate is sourced from PubChem (CID 46660030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).