2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C24H25N3O5S — CID 95088433

IUPAC2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC[C@H]3CCCO3)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-17-9-11-21(12-10-17)33(29,30)27-18-5-2-6-19(15-18)32-24-22(8-3-13-25-24)23(28)26-16-20-7-4-14-31-20/h2-3,5-6,8-13,15,20,27H,4,7,14,16H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyWQBTZFPZWKJJLB-HXUWFJFHSA-N
MW467.55 g/mol
LogP3.89
Rot. Bonds8

About 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 95088433) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID95088433
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC[C@H]3CCCO3)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-17-9-11-21(12-10-17)33(29,30)27-18-5-2-6-19(15-18)32-24-22(8-3-13-25-24)23(28)26-16-20-7-4-14-31-20/h2-3,5-6,8-13,15,20,27H,4,7,14,16H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyWQBTZFPZWKJJLB-HXUWFJFHSA-N
XLogP3.89
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide 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-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088432
2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088438
2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088436
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117640
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616
2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53117682
N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117722
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 94862163
2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53117717
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 99949677

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 95088433) is 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC[C@H]3CCCO3)c2)cc1.
What is the InChIKey of 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is WQBTZFPZWKJJLB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-17-9-11-21(12-10-17)33(29,30)27-18-5-2-6-19(15-18)32-24-22(8-3-13-25-24)23(28)26-16-20-7-4-14-31-20/h2-3,5-6,8-13,15,20,27H,4,7,14,16H2,1H3,(H,26,28)/t20-/m1/s1.
What are the key properties of 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95088433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).