2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide

C18H29N3O4S — CID 6493536

IUPAC2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H29N3O4S/c1-3-21(26(23,24)17-7-5-16(2)6-8-17)15-18(22)19-9-4-10-20-11-13-25-14-12-20/h5-8H,3-4,9-15H2,1-2H3,(H,19,22)
InChIKeyXPSQFEROUPGWRZ-UHFFFAOYSA-N
MW383.51 g/mol
LogP0.84
Rot. Bonds9

About 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide

2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 6493536) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID6493536
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H29N3O4S/c1-3-21(26(23,24)17-7-5-16(2)6-8-17)15-18(22)19-9-4-10-20-11-13-25-14-12-20/h5-8H,3-4,9-15H2,1-2H3,(H,19,22)
InChIKeyXPSQFEROUPGWRZ-UHFFFAOYSA-N
XLogP0.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide (CID 6493536) is 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide is CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is XPSQFEROUPGWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-3-21(26(23,24)17-7-5-16(2)6-8-17)15-18(22)19-9-4-10-20-11-13-25-14-12-20/h5-8H,3-4,9-15H2,1-2H3,(H,19,22).
What are the key properties of 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 383.51 g/mol, XLogP of 0.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 6493536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).