2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C20H21N3O5S — CID 55313139

IUPAC2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESN#CCc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H21N3O5S/c21-9-8-16-4-6-18(7-5-16)28-15-20(24)22-17-2-1-3-19(14-17)29(25,26)23-10-12-27-13-11-23/h1-7,14H,8,10-13,15H2,(H,22,24)
InChIKeyXNLRQUXBINIWDQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.79
Rot. Bonds7

About 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 55313139) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID55313139
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESN#CCc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H21N3O5S/c21-9-8-16-4-6-18(7-5-16)28-15-20(24)22-17-2-1-3-19(14-17)29(25,26)23-10-12-27-13-11-23/h1-7,14H,8,10-13,15H2,(H,22,24)
InChIKeyXNLRQUXBINIWDQ-UHFFFAOYSA-N
XLogP1.79
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 17070440
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 100800378
2-[4-(cyanomethyl)phenoxy]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55312863
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 55315274
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 4854297
methyl 2-[4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]acetate
CID 26054421
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119671802
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 42998392

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 55313139) is 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is N#CCc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is XNLRQUXBINIWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c21-9-8-16-4-6-18(7-5-16)28-15-20(24)22-17-2-1-3-19(14-17)29(25,26)23-10-12-27-13-11-23/h1-7,14H,8,10-13,15H2,(H,22,24).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55313139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).