2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid

C13H20N2O4S — CID 60829714

IUPAC2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid
SMILESCC(C)N(CC(=O)O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H20N2O4S/c1-10(2)15(9-13(16)17)11-7-5-6-8-12(11)20(18,19)14(3)4/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyLJDVISXQZHQQHY-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.24
Rot. Bonds6

About 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid

2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid (PubChem CID 60829714) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid
PubChem CID60829714
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid
SMILESCC(C)N(CC(=O)O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H20N2O4S/c1-10(2)15(9-13(16)17)11-7-5-6-8-12(11)20(18,19)14(3)4/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyLJDVISXQZHQQHY-UHFFFAOYSA-N
XLogP1.24
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid
CID 60839864
2-[2-(difluoromethylsulfonyl)-N-propan-2-ylanilino]acetic acid
CID 60830041
2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid
CID 43454434
2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid
CID 62818911
2-(2-nitro-N-propan-2-ylanilino)acetic acid
CID 60829532
2-[1-bromopropan-2-yl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 113426409
2-(N-methyl-2-methylsulfonylanilino)acetic acid
CID 43453480
2-[2-ethylsulfonyl-N-(2-methylpropyl)anilino]acetic acid
CID 63064144
2-(2-ethylsulfonyl-N-methylanilino)acetic acid
CID 43453508
methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate
CID 62004595
2-(1-hydroxyethyl)-N,N-dimethylbenzenesulfonamide
CID 14006033
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid?
The IUPAC name of 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid (CID 60829714) is 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid is CC(C)N(CC(=O)O)c1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid?
The InChIKey is LJDVISXQZHQQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)15(9-13(16)17)11-7-5-6-8-12(11)20(18,19)14(3)4/h5-8,10H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid?
2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid has a molecular weight of 300.38 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid is sourced from PubChem (CID 60829714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).