2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

C18H29N3O4S — CID 6493529

IUPAC2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)c(C)c1
InChIInChI=1S/C18H29N3O4S/c1-14-11-15(2)18(16(3)12-14)26(23,24)20(4)13-17(22)19-5-6-21-7-9-25-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,22)
InChIKeyOCCUASGDHYLDTP-UHFFFAOYSA-N
MW383.51 g/mol
LogP0.68
Rot. Bonds7

About 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 6493529) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID6493529
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)c(C)c1
InChIInChI=1S/C18H29N3O4S/c1-14-11-15(2)18(16(3)12-14)26(23,24)20(4)13-17(22)19-5-6-21-7-9-25-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,22)
InChIKeyOCCUASGDHYLDTP-UHFFFAOYSA-N
XLogP0.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (CID 6493529) is 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCN2CCOCC2)c(C)c1.
What is the InChIKey of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is OCCUASGDHYLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-14-11-15(2)18(16(3)12-14)26(23,24)20(4)13-17(22)19-5-6-21-7-9-25-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,22).
What are the key properties of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 383.51 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 6493529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).