2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide

C24H27N3O4S — CID 53117640

IUPAC2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H27N3O4S/c1-3-4-5-15-25-23(28)22-10-7-16-26-24(22)31-20-9-6-8-19(17-20)27-32(29,30)21-13-11-18(2)12-14-21/h6-14,16-17,27H,3-5,15H2,1-2H3,(H,25,28)
InChIKeyVLWQNBFRIWJOPS-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.90
Rot. Bonds10

About 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide

2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide (PubChem CID 53117640) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
PubChem CID53117640
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H27N3O4S/c1-3-4-5-15-25-23(28)22-10-7-16-26-24(22)31-20-9-6-8-19(17-20)27-32(29,30)21-13-11-18(2)12-14-21/h6-14,16-17,27H,3-5,15H2,1-2H3,(H,25,28)
InChIKeyVLWQNBFRIWJOPS-UHFFFAOYSA-N
XLogP4.90
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117639
2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53117682
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
N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 53120314
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95088443
2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53117628
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
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088438
2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53117717

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide (CID 53117640) is 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide?
The InChIKey is VLWQNBFRIWJOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-3-4-5-15-25-23(28)22-10-7-16-26-24(22)31-20-9-6-8-19(17-20)27-32(29,30)21-13-11-18(2)12-14-21/h6-14,16-17,27H,3-5,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide?
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 4.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 53117640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).