2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid

C15H23NO4S — CID 60828470

IUPAC2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO4S/c1-5-12(4)16(10-15(17)18)21(19,20)14-8-6-13(7-9-14)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,18)
InChIKeyHQOKWNRFNMZSRU-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.68
Rot. Bonds7

About 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid

2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid (PubChem CID 60828470) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid
PubChem CID60828470
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO4S/c1-5-12(4)16(10-15(17)18)21(19,20)14-8-6-13(7-9-14)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,18)
InChIKeyHQOKWNRFNMZSRU-UHFFFAOYSA-N
XLogP2.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[propan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]propanoic acid
CID 60830015
2-[butan-2-yl-(3,5-dimethylphenyl)sulfonylamino]acetic acid
CID 60828140
2-[butan-2-yl-(4-cyano-3-methylphenyl)sulfonylamino]acetic acid
CID 106831548
2-[(4-propan-2-ylphenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79274625
2-[(4-butan-2-ylphenyl)sulfonyl-propylamino]acetic acid
CID 61007380
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 43274837
2-[butan-2-yl(2-phenylpropylsulfonyl)amino]acetic acid
CID 80691416
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62817138
2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65057052
2-[butan-2-yl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetic acid
CID 81319438
N-[(2S)-butan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154516

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid (CID 60828470) is 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid is CCC(C)N(CC(=O)O)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid?
The InChIKey is HQOKWNRFNMZSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-12(4)16(10-15(17)18)21(19,20)14-8-6-13(7-9-14)11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid?
2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid has a molecular weight of 313.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 60828470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).