methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate

C20H23ClN2O5S — CID 55343956

IUPACmethyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C(C)C
InChIInChI=1S/C20H23ClN2O5S/c1-13(2)18(20(25)28-4)22-19(24)14-7-5-10-17(11-14)29(26,27)23(3)16-9-6-8-15(21)12-16/h5-13,18H,1-4H3,(H,22,24)
InChIKeyKVBNWLOGAQIOOX-UHFFFAOYSA-N
MW438.93 g/mol
LogP3.09
Rot. Bonds7

About methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate

methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate (PubChem CID 55343956) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
PubChem CID55343956
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Namemethyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C(C)C
InChIInChI=1S/C20H23ClN2O5S/c1-13(2)18(20(25)28-4)22-19(24)14-7-5-10-17(11-14)29(26,27)23(3)16-9-6-8-15(21)12-16/h5-13,18H,1-4H3,(H,22,24)
InChIKeyKVBNWLOGAQIOOX-UHFFFAOYSA-N
XLogP3.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate with MolForge

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 42977769
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815
ethyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 55983911
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
CID 55784053
3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide
CID 86847643

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate (CID 55343956) is methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C(C)C.
What is the InChIKey of methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate?
The InChIKey is KVBNWLOGAQIOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-13(2)18(20(25)28-4)22-19(24)14-7-5-10-17(11-14)29(26,27)23(3)16-9-6-8-15(21)12-16/h5-13,18H,1-4H3,(H,22,24).
What are the key properties of methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate?
methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate has a molecular weight of 438.93 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate is sourced from PubChem (CID 55343956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).