2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide

C25H26N4O5S — CID 53120219

IUPAC2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C(=O)NC3CCCC3)cc2)cc1
InChIInChI=1S/C25H26N4O5S/c1-17(30)27-19-10-14-22(15-11-19)35(32,33)29-20-8-12-21(13-9-20)34-25-23(7-4-16-26-25)24(31)28-18-5-2-3-6-18/h4,7-16,18,29H,2-3,5-6H2,1H3,(H,27,30)(H,28,31)
InChIKeyPVGQUQWWIDWNCA-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.31
Rot. Bonds8

About 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide

2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide (PubChem CID 53120219) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
PubChem CID53120219
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C(=O)NC3CCCC3)cc2)cc1
InChIInChI=1S/C25H26N4O5S/c1-17(30)27-19-10-14-22(15-11-19)35(32,33)29-20-8-12-21(13-9-20)34-25-23(7-4-16-26-25)24(31)28-18-5-2-3-6-18/h4,7-16,18,29H,2-3,5-6H2,1H3,(H,27,30)(H,28,31)
InChIKeyPVGQUQWWIDWNCA-UHFFFAOYSA-N
XLogP4.31
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616
2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120274
2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53117717
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
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
N-[4-[(4-pyridin-3-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 1332367
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120168
N-cyclobutyl-2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117671
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 53120314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide (CID 53120219) is 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C(=O)NC3CCCC3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide?
The InChIKey is PVGQUQWWIDWNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-17(30)27-19-10-14-22(15-11-19)35(32,33)29-20-8-12-21(13-9-20)34-25-23(7-4-16-26-25)24(31)28-18-5-2-3-6-18/h4,7-16,18,29H,2-3,5-6H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide?
2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide is sourced from PubChem (CID 53120219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).