methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate

C14H22N2O4S — CID 62007235

IUPACmethyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate
SMILESCCNS(=O)(=O)c1ccc(N(CC(=O)OC)C(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-5-15-21(18,19)13-8-6-12(7-9-13)16(11(2)3)10-14(17)20-4/h6-9,11,15H,5,10H2,1-4H3
InChIKeyMRGXPEXWCAOBEB-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.37
Rot. Bonds7

About methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate

methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate (PubChem CID 62007235) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate
PubChem CID62007235
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Namemethyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate
SMILESCCNS(=O)(=O)c1ccc(N(CC(=O)OC)C(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-5-15-21(18,19)13-8-6-12(7-9-13)16(11(2)3)10-14(17)20-4/h6-9,11,15H,5,10H2,1-4H3
InChIKeyMRGXPEXWCAOBEB-UHFFFAOYSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-nitro-N-propan-2-ylanilino)acetate
CID 62006673
methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
CID 62006867
2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid
CID 63644748
4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide
CID 61146670
methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate
CID 62004980
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide
CID 82899245
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 60544335
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7429425
2-[4-(ethylsulfamoyl)-N-prop-2-ynylanilino]acetic acid
CID 79273074
ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
CID 61499285
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate?
The IUPAC name of methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate (CID 62007235) is methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate.
What is the SMILES notation for methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate?
The canonical SMILES for methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate is CCNS(=O)(=O)c1ccc(N(CC(=O)OC)C(C)C)cc1.
What is the InChIKey of methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate?
The InChIKey is MRGXPEXWCAOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-15-21(18,19)13-8-6-12(7-9-13)16(11(2)3)10-14(17)20-4/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate?
methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate has a molecular weight of 314.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate is sourced from PubChem (CID 62007235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).