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

C24H26N4O5S — CID 53120139

IUPAC6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2ccc(C(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C24H26N4O5S/c1-15(2)26-24(30)18-6-12-23(25-14-18)33-20-9-7-19(8-10-20)28-34(31,32)22-13-16(3)5-11-21(22)27-17(4)29/h5-15,28H,1-4H3,(H,26,30)(H,27,29)
InChIKeyLLMRXQAYAAZVAY-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.08
Rot. Bonds8

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

6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 53120139) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID53120139
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2ccc(C(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C24H26N4O5S/c1-15(2)26-24(30)18-6-12-23(25-14-18)33-20-9-7-19(8-10-20)28-34(31,32)22-13-16(3)5-11-21(22)27-17(4)29/h5-15,28H,1-4H3,(H,26,30)(H,27,29)
InChIKeyLLMRXQAYAAZVAY-UHFFFAOYSA-N
XLogP4.08
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide
CID 53120146
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120148
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089174
1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061864
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide (CID 53120139) is 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2ccc(C(=O)NC(C)C)cn2)cc1.
What is the InChIKey of 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LLMRXQAYAAZVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-15(2)26-24(30)18-6-12-23(25-14-18)33-20-9-7-19(8-10-20)28-34(31,32)22-13-16(3)5-11-21(22)27-17(4)29/h5-15,28H,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 4.08, 8 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-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 53120139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).