N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide

C17H21N5O5S — CID 24790982

IUPACN-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C17H21N5O5S/c1-13(23)19-14-2-4-15(5-3-14)20-16(24)10-21-11-17(18-12-21)28(25,26)22-6-8-27-9-7-22/h2-5,11-12H,6-10H2,1H3,(H,19,23)(H,20,24)
InChIKeyZJBPYAZCOYWQJN-UHFFFAOYSA-N
MW407.45 g/mol
LogP0.50
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide

N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 24790982) has the molecular formula C17H21N5O5S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
PubChem CID24790982
Molecular FormulaC17H21N5O5S
Molecular Weight407.45 g/mol
Exact Mass407.13
IUPAC NameN-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C17H21N5O5S/c1-13(23)19-14-2-4-15(5-3-14)20-16(24)10-21-11-17(18-12-21)28(25,26)22-6-8-27-9-7-22/h2-5,11-12H,6-10H2,1H3,(H,19,23)(H,20,24)
InChIKeyZJBPYAZCOYWQJN-UHFFFAOYSA-N
XLogP0.50
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (CID 24790982) is N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is ZJBPYAZCOYWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5S/c1-13(23)19-14-2-4-15(5-3-14)20-16(24)10-21-11-17(18-12-21)28(25,26)22-6-8-27-9-7-22/h2-5,11-12H,6-10H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 407.45 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 24790982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).