ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate

C14H22N2O4S — CID 62007153

IUPACethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
SMILESCCOC(=O)CN(C)c1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C14H22N2O4S/c1-5-20-14(17)10-16(4)12-8-6-7-9-13(12)21(18,19)15-11(2)3/h6-9,11,15H,5,10H2,1-4H3
InChIKeyZJTOUULYXPLQJZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.37
Rot. Bonds7

About ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate

ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate (PubChem CID 62007153) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
PubChem CID62007153
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nameethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
SMILESCCOC(=O)CN(C)c1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C14H22N2O4S/c1-5-20-14(17)10-16(4)12-8-6-7-9-13(12)21(18,19)15-11(2)3/h6-9,11,15H,5,10H2,1-4H3
InChIKeyZJTOUULYXPLQJZ-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-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62006228
ethyl 3-(2-ethylsulfonyl-N-methylanilino)propanoate
CID 62007156
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 79378942
ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
CID 114599518
methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate
CID 62004595
ethyl 3-(N-methyl-2-propylsulfonylanilino)propanoate
CID 62007157
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
ethyl 2-(N-methylsulfonyl-2-propan-2-ylanilino)acetate
CID 50893699
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209
ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate
CID 115969655
2-(2-ethylsulfonyl-N-methylanilino)acetic acid
CID 43453508

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate?
The IUPAC name of ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate (CID 62007153) is ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate?
The canonical SMILES for ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate is CCOC(=O)CN(C)c1ccccc1S(=O)(=O)NC(C)C.
What is the InChIKey of ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate?
The InChIKey is ZJTOUULYXPLQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-20-14(17)10-16(4)12-8-6-7-9-13(12)21(18,19)15-11(2)3/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate?
ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]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 ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate is sourced from PubChem (CID 62007153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).