2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

C17H27N3O4S — CID 20842918

IUPAC2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCc1ccccc1CS(=O)(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H27N3O4S/c1-2-15-5-3-4-6-16(15)14-25(22,23)19-13-17(21)18-7-8-20-9-11-24-12-10-20/h3-6,19H,2,7-14H2,1H3,(H,18,21)
InChIKeyAOKNUZKFEHOIPT-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.12
Rot. Bonds9

About 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 20842918) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID20842918
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCc1ccccc1CS(=O)(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H27N3O4S/c1-2-15-5-3-4-6-16(15)14-25(22,23)19-13-17(21)18-7-8-20-9-11-24-12-10-20/h3-6,19H,2,7-14H2,1H3,(H,18,21)
InChIKeyAOKNUZKFEHOIPT-UHFFFAOYSA-N
XLogP0.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285240
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113154221
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975
2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285223
4-amino-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 119863887

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (CID 20842918) is 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is CCc1ccccc1CS(=O)(=O)NCC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is AOKNUZKFEHOIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-2-15-5-3-4-6-16(15)14-25(22,23)19-13-17(21)18-7-8-20-9-11-24-12-10-20/h3-6,19H,2,7-14H2,1H3,(H,18,21).
What are the key properties of 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 20842918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).