2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C16H22N4O3S2 — CID 20949693

IUPAC2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)NCc3cccs3)cn2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-13-4-6-20(7-5-13)25(22,23)16-11-19(12-18-16)10-15(21)17-9-14-3-2-8-24-14/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,17,21)
InChIKeyCQVRWNPNJZLMSB-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.68
Rot. Bonds6

About 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 20949693) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID20949693
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)NCc3cccs3)cn2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-13-4-6-20(7-5-13)25(22,23)16-11-19(12-18-16)10-15(21)17-9-14-3-2-8-24-14/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,17,21)
InChIKeyCQVRWNPNJZLMSB-UHFFFAOYSA-N
XLogP1.68
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 20949693) is 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is CC1CCN(S(=O)(=O)c2cn(CC(=O)NCc3cccs3)cn2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CQVRWNPNJZLMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-13-4-6-20(7-5-13)25(22,23)16-11-19(12-18-16)10-15(21)17-9-14-3-2-8-24-14/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,17,21).
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 382.51 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 20949693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).