2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C18H24N4O7S — CID 20949794

IUPAC2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1OC
InChIInChI=1S/C18H24N4O7S/c1-26-14-8-13(9-15(27-2)18(14)28-3)20-16(23)10-21-11-17(19-12-21)30(24,25)22-4-6-29-7-5-22/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyWRJZLBHAPURNRH-UHFFFAOYSA-N
MW440.48 g/mol
LogP0.57
Rot. Bonds8

About 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 20949794) has the molecular formula C18H24N4O7S and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID20949794
Molecular FormulaC18H24N4O7S
Molecular Weight440.48 g/mol
Exact Mass440.14
IUPAC Name2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1OC
InChIInChI=1S/C18H24N4O7S/c1-26-14-8-13(9-15(27-2)18(14)28-3)20-16(23)10-21-11-17(19-12-21)30(24,25)22-4-6-29-7-5-22/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyWRJZLBHAPURNRH-UHFFFAOYSA-N
XLogP0.57
TPSA121.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 20949794) is 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1OC.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is WRJZLBHAPURNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O7S/c1-26-14-8-13(9-15(27-2)18(14)28-3)20-16(23)10-21-11-17(19-12-21)30(24,25)22-4-6-29-7-5-22/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,23).
What are the key properties of 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 440.48 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 20949794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).