2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid

C14H21NO5S — CID 79262493

IUPAC2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO5S/c1-10-8-11(6-7-12(10)20-5)21(18,19)15(9-13(16)17)14(2,3)4/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyPOCOVAPTXCKTCJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.88
Rot. Bonds5

About 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid

2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid (PubChem CID 79262493) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid
PubChem CID79262493
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)C(C)(C)C)cc1C
InChIInChI=1S/C14H21NO5S/c1-10-8-11(6-7-12(10)20-5)21(18,19)15(9-13(16)17)14(2,3)4/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyPOCOVAPTXCKTCJ-UHFFFAOYSA-N
XLogP1.88
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tert-butyl-(3-fluoro-4-methoxyphenyl)sulfonylamino]acetic acid
CID 79262278
tert-butyl 2-[tert-butyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3690231
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
4-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 39424256
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262298
3-[(4-bromo-3-methylphenyl)sulfonyl-tert-butylamino]propanoic acid
CID 60828995
N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 3504330
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100798501
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
N-[1-(4-tert-butylphenyl)ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 43900174

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid (CID 79262493) is 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)C(C)(C)C)cc1C.
What is the InChIKey of 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid?
The InChIKey is POCOVAPTXCKTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-10-8-11(6-7-12(10)20-5)21(18,19)15(9-13(16)17)14(2,3)4/h6-8H,9H2,1-5H3,(H,16,17).
What are the key properties of 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid?
2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid has a molecular weight of 315.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 79262493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).