6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide

C25H28N4O5S — CID 53120146

IUPAC6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)nc1
InChIInChI=1S/C25H28N4O5S/c1-4-5-14-26-25(31)19-7-13-24(27-16-19)34-21-10-8-20(9-11-21)29-35(32,33)23-15-17(2)6-12-22(23)28-18(3)30/h6-13,15-16,29H,4-5,14H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyRFNXNNNYKCDISS-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.47
Rot. Bonds10

About 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide

6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide (PubChem CID 53120146) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide
PubChem CID53120146
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)nc1
InChIInChI=1S/C25H28N4O5S/c1-4-5-14-26-25(31)19-7-13-24(27-16-19)34-21-10-8-20(9-11-21)29-35(32,33)23-15-17(2)6-12-22(23)28-18(3)30/h6-13,15-16,29H,4-5,14H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyRFNXNNNYKCDISS-UHFFFAOYSA-N
XLogP4.47
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120139
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53120059
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55844031
N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089174
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
N-[4-[(4-methyl-2-propoxyphenyl)sulfonylamino]phenyl]acetamide
CID 172906766
ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 87002133

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide (CID 53120146) is 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide is CCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)nc1.
What is the InChIKey of 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide?
The InChIKey is RFNXNNNYKCDISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-4-5-14-26-25(31)19-7-13-24(27-16-19)34-21-10-8-20(9-11-21)29-35(32,33)23-15-17(2)6-12-22(23)28-18(3)30/h6-13,15-16,29H,4-5,14H2,1-3H3,(H,26,31)(H,28,30).
What are the key properties of 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide?
6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 4.47, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide is sourced from PubChem (CID 53120146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).