2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide

C20H20N2O4S — CID 159327916

IUPAC2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide
SMILESC#Cc1ccc(CC(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20N2O4S/c1-2-16-7-9-17(10-8-16)15-20(23)21-18-5-3-4-6-19(18)27(24,25)22-11-13-26-14-12-22/h1,3-10H,11-15H2,(H,21,23)
InChIKeySTJZGIQFGNXGIO-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.87
Rot. Bonds5

About 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 159327916) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID159327916
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide
SMILESC#Cc1ccc(CC(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20N2O4S/c1-2-16-7-9-17(10-8-16)15-20(23)21-18-5-3-4-6-19(18)27(24,25)22-11-13-26-14-12-22/h1,3-10H,11-15H2,(H,21,23)
InChIKeySTJZGIQFGNXGIO-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 126822629
2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 55921108
2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
CID 56801922
(2R)-2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
CID 95599206
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
2-ethoxy-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
CID 56801921
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-(4-phenylphenyl)acetamide
CID 4849659
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662793
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide (CID 159327916) is 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide is C#Cc1ccc(CC(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is STJZGIQFGNXGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-2-16-7-9-17(10-8-16)15-20(23)21-18-5-3-4-6-19(18)27(24,25)22-11-13-26-14-12-22/h1,3-10H,11-15H2,(H,21,23).
What are the key properties of 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 159327916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).