2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide

C19H22FN3O4S — CID 2677684

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O4S/c1-22(28(25,26)16-8-6-15(20)7-9-16)14-19(24)21-17-4-2-3-5-18(17)23-10-12-27-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeySHGYMBQTLOBOFG-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.92
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 2677684) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID2677684
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O4S/c1-22(28(25,26)16-8-6-15(20)7-9-16)14-19(24)21-17-4-2-3-5-18(17)23-10-12-27-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeySHGYMBQTLOBOFG-UHFFFAOYSA-N
XLogP1.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide (CID 2677684) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is SHGYMBQTLOBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-22(28(25,26)16-8-6-15(20)7-9-16)14-19(24)21-17-4-2-3-5-18(17)23-10-12-27-13-11-23/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2677684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).