2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide

C20H25N3O4S — CID 1084690

IUPAC2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccn1
InChIInChI=1S/C20H25N3O4S/c24-20(22-14-17-8-4-5-13-21-17)15-27-18-9-11-19(12-10-18)28(25,26)23-16-6-2-1-3-7-16/h4-5,8-13,16,23H,1-3,6-7,14-15H2,(H,22,24)
InChIKeyXWTNEVHXUWOCMU-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.39
Rot. Bonds8

About 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1084690) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1084690
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccn1
InChIInChI=1S/C20H25N3O4S/c24-20(22-14-17-8-4-5-13-21-17)15-27-18-9-11-19(12-10-18)28(25,26)23-16-6-2-1-3-7-16/h4-5,8-13,16,23H,1-3,6-7,14-15H2,(H,22,24)
InChIKeyXWTNEVHXUWOCMU-UHFFFAOYSA-N
XLogP2.39
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2983927
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
4-butoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3239781
(R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-2-ylmethyl-amino]-3-methyl-butyramide
CID 9886865
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-pyridin-4-yloxybenzenesulfonamide
CID 57398159
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-pyridin-2-yloxybenzenesulfonamide
CID 57403329
2-[4-[(E)-2-(3-chloro-2-pyridinyl)ethenyl]sulfonylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 153404513
[(4-Methoxyphenyl)sulfonyl](2-(2-pyridyl)ethyl)amine
CID 2479319

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide (CID 1084690) is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccn1.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is XWTNEVHXUWOCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c24-20(22-14-17-8-4-5-13-21-17)15-27-18-9-11-19(12-10-18)28(25,26)23-16-6-2-1-3-7-16/h4-5,8-13,16,23H,1-3,6-7,14-15H2,(H,22,24).
What are the key properties of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1084690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).