3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid

C25H27N3O5S — CID 171353585

IUPAC3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1cncc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C25H27N3O5S/c1-25(2,3)28-34(32,33)22-7-5-4-6-21(22)18-14-19(16-26-15-18)24(31)27-20-11-8-17(9-12-20)10-13-23(29)30/h4-9,11-12,14-16,28H,10,13H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyYQCJNWJIDSUBCQ-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.09
Rot. Bonds8

About 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid

3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid (PubChem CID 171353585) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid
PubChem CID171353585
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1cncc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C25H27N3O5S/c1-25(2,3)28-34(32,33)22-7-5-4-6-21(22)18-14-19(16-26-15-18)24(31)27-20-11-8-17(9-12-20)10-13-23(29)30/h4-9,11-12,14-16,28H,10,13H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyYQCJNWJIDSUBCQ-UHFFFAOYSA-N
XLogP4.09
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic 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

N,5-diphenylpyridine-3-carboxamide
CID 110683714
5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109106910
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034
5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 54003940
5-(2-fluorophenyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 46033116
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
3-N-[2-(4-fluorophenyl)ethyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106358
3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 25035469
3-[4-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 119252351
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid (CID 171353585) is 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid is CC(C)(C)NS(=O)(=O)c1ccccc1-c1cncc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1.
What is the InChIKey of 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid?
The InChIKey is YQCJNWJIDSUBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-25(2,3)28-34(32,33)22-7-5-4-6-21(22)18-14-19(16-26-15-18)24(31)27-20-11-8-17(9-12-20)10-13-23(29)30/h4-9,11-12,14-16,28H,10,13H2,1-3H3,(H,27,31)(H,29,30).
What are the key properties of 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid?
3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid has a molecular weight of 481.57 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridine-3-carbonyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 171353585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).