methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate

C13H21N3O4S — CID 24541409

IUPACmethyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)OC
InChIInChI=1S/C13H21N3O4S/c1-5-14-11-7-6-10(21(18,19)16(2)3)8-12(11)15-9-13(17)20-4/h6-8,14-15H,5,9H2,1-4H3
InChIKeyPFFBNCTZVPODEU-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.95
Rot. Bonds7

About methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate

methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate (PubChem CID 24541409) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
PubChem CID24541409
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Namemethyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)OC
InChIInChI=1S/C13H21N3O4S/c1-5-14-11-7-6-10(21(18,19)16(2)3)8-12(11)15-9-13(17)20-4/h6-8,14-15H,5,9H2,1-4H3
InChIKeyPFFBNCTZVPODEU-UHFFFAOYSA-N
XLogP0.95
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884054
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-phenoxyphenyl)acetamide
CID 4884363
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
CID 51160031
4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid
CID 24580673
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
3-[[(1S)-2,2-dichlorocyclopropyl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 25352213
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533737
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 25332133

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate?
The IUPAC name of methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate (CID 24541409) is methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate.
What is the SMILES notation for methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate?
The canonical SMILES for methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)OC.
What is the InChIKey of methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate?
The InChIKey is PFFBNCTZVPODEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-5-14-11-7-6-10(21(18,19)16(2)3)8-12(11)15-9-13(17)20-4/h6-8,14-15H,5,9H2,1-4H3.
What are the key properties of methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate?
methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate has a molecular weight of 315.40 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate is sourced from PubChem (CID 24541409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).