2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide

C26H29N3O4S — CID 53120274

IUPAC2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-2-27-25(30)24-9-6-18-28-26(24)33-22-14-12-21(13-15-22)29-34(31,32)23-16-10-20(11-17-23)19-7-4-3-5-8-19/h6,9-19,29H,2-5,7-8H2,1H3,(H,27,30)
InChIKeyHLCXLOKMRJAIMN-UHFFFAOYSA-N
MW479.60 g/mol
LogP5.47
Rot. Bonds8

About 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide

2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide (PubChem CID 53120274) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
PubChem CID53120274
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-2-27-25(30)24-9-6-18-28-26(24)33-22-14-12-21(13-15-22)29-34(31,32)23-16-10-20(11-17-23)19-7-4-3-5-8-19/h6,9-19,29H,2-5,7-8H2,1H3,(H,27,30)
InChIKeyHLCXLOKMRJAIMN-UHFFFAOYSA-N
XLogP5.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.60
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53117717
2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
CID 53120219
2-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120168
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 53120314
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306
2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120247
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616
2-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120284
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088432

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide (CID 53120274) is 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide?
The InChIKey is HLCXLOKMRJAIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-2-27-25(30)24-9-6-18-28-26(24)33-22-14-12-21(13-15-22)29-34(31,32)23-16-10-20(11-17-23)19-7-4-3-5-8-19/h6,9-19,29H,2-5,7-8H2,1H3,(H,27,30).
What are the key properties of 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide?
2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 53120274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).