2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C25H27N3O5S — CID 95088438

IUPAC2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC[C@@H]3CCCO3)c2)c(C)c1
InChIInChI=1S/C25H27N3O5S/c1-17-10-11-23(18(2)14-17)34(30,31)28-19-6-3-7-20(15-19)33-25-22(9-4-12-26-25)24(29)27-16-21-8-5-13-32-21/h3-4,6-7,9-12,14-15,21,28H,5,8,13,16H2,1-2H3,(H,27,29)/t21-/m0/s1
InChIKeyDMFJFJGQYARXOQ-NRFANRHFSA-N
MW481.57 g/mol
LogP4.20
Rot. Bonds8

About 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 95088438) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID95088438
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC[C@@H]3CCCO3)c2)c(C)c1
InChIInChI=1S/C25H27N3O5S/c1-17-10-11-23(18(2)14-17)34(30,31)28-19-6-3-7-20(15-19)33-25-22(9-4-12-26-25)24(29)27-16-21-8-5-13-32-21/h3-4,6-7,9-12,14-15,21,28H,5,8,13,16H2,1-2H3,(H,27,29)/t21-/m0/s1
InChIKeyDMFJFJGQYARXOQ-NRFANRHFSA-N
XLogP4.20
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088432
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088433
2-[3-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088436
2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53117682
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
N-cyclobutyl-2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117671
N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089174
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616
N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117722
N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117672
1-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 41144560

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 95088438) is 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC[C@@H]3CCCO3)c2)c(C)c1.
What is the InChIKey of 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is DMFJFJGQYARXOQ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-17-10-11-23(18(2)14-17)34(30,31)28-19-6-3-7-20(15-19)33-25-22(9-4-12-26-25)24(29)27-16-21-8-5-13-32-21/h3-4,6-7,9-12,14-15,21,28H,5,8,13,16H2,1-2H3,(H,27,29)/t21-/m0/s1.
What are the key properties of 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95088438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).