2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid

C14H22N2O4S — CID 60839864

IUPAC2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O4S/c1-5-11(2)16(10-14(17)18)12-8-6-7-9-13(12)21(19,20)15(3)4/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeyZRVQQXOIUQYKEW-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.63
Rot. Bonds7

About 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid

2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid (PubChem CID 60839864) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid
PubChem CID60839864
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N2O4S/c1-5-11(2)16(10-14(17)18)12-8-6-7-9-13(12)21(19,20)15(3)4/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeyZRVQQXOIUQYKEW-UHFFFAOYSA-N
XLogP1.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid
CID 60829714
2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid
CID 43454434
2-[2-(difluoromethylsulfonyl)-N-propan-2-ylanilino]acetic acid
CID 60830041
2-(N-butan-2-yl-2-nitroanilino)acetic acid
CID 60840201
2-[1-bromopropan-2-yl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 113426409
2-[2-ethylsulfonyl-N-(2-methylpropyl)anilino]acetic acid
CID 63064144
2-(3-bromo-N-butan-2-yl-2-cyanoanilino)acetic acid
CID 114880071
2-(2-ethylsulfonyl-N-methylanilino)acetic acid
CID 43453508
2-[2-(dimethylsulfamoyl)-N-methylanilino]-2-methylpropanoic acid
CID 62818911
2-(N-methyl-2-methylsulfonylanilino)acetic acid
CID 43453480
2-(N-butan-2-yl-3-methyl-2-nitroanilino)acetic acid
CID 114041433
2-(N-butan-2-yl-4-cyano-2-methylanilino)acetic acid
CID 54934226

Frequently Asked Questions

What is the IUPAC name of 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid?
The IUPAC name of 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid (CID 60839864) is 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid is CCC(C)N(CC(=O)O)c1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid?
The InChIKey is ZRVQQXOIUQYKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-11(2)16(10-14(17)18)12-8-6-7-9-13(12)21(19,20)15(3)4/h6-9,11H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid?
2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid has a molecular weight of 314.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butan-2-yl-2-(dimethylsulfamoyl)anilino]acetic acid is sourced from PubChem (CID 60839864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).