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

C19H26N4O6S — CID 20949506

IUPAC2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O6S/c1-27-15-9-14(10-16(28-2)19(15)29-3)21-17(24)11-22-12-18(20-13-22)30(25,26)23-7-5-4-6-8-23/h9-10,12-13H,4-8,11H2,1-3H3,(H,21,24)
InChIKeyNOKNUGQIVPPKEZ-UHFFFAOYSA-N
MW438.51 g/mol
LogP1.72
Rot. Bonds8

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

2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 20949506) has the molecular formula C19H26N4O6S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID20949506
Molecular FormulaC19H26N4O6S
Molecular Weight438.51 g/mol
Exact Mass438.16
IUPAC Name2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O6S/c1-27-15-9-14(10-16(28-2)19(15)29-3)21-17(24)11-22-12-18(20-13-22)30(25,26)23-7-5-4-6-8-23/h9-10,12-13H,4-8,11H2,1-3H3,(H,21,24)
InChIKeyNOKNUGQIVPPKEZ-UHFFFAOYSA-N
XLogP1.72
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 20949506) is 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc(OC)c1OC.
What is the InChIKey of 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is NOKNUGQIVPPKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6S/c1-27-15-9-14(10-16(28-2)19(15)29-3)21-17(24)11-22-12-18(20-13-22)30(25,26)23-7-5-4-6-8-23/h9-10,12-13H,4-8,11H2,1-3H3,(H,21,24).
What are the key properties of 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 438.51 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 20949506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).