N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide

C19H26N4O3S — CID 46957375

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide
SMILESCC1CCN(CCNC(=O)CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C19H26N4O3S/c1-15-7-11-23(12-8-15)13-10-20-18(24)14-22-27(25,26)17-6-2-4-16-5-3-9-21-19(16)17/h2-6,9,15,22H,7-8,10-14H2,1H3,(H,20,24)
InChIKeyGSBAVSKHHVNMAA-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.36
Rot. Bonds7

About N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide (PubChem CID 46957375) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide
PubChem CID46957375
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide
SMILESCC1CCN(CCNC(=O)CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C19H26N4O3S/c1-15-7-11-23(12-8-15)13-10-20-18(24)14-22-27(25,26)17-6-2-4-16-5-3-9-21-19(16)17/h2-6,9,15,22H,7-8,10-14H2,1H3,(H,20,24)
InChIKeyGSBAVSKHHVNMAA-UHFFFAOYSA-N
XLogP1.36
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide (CID 46957375) is N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide is CC1CCN(CCNC(=O)CNS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide?
The InChIKey is GSBAVSKHHVNMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-15-7-11-23(12-8-15)13-10-20-18(24)14-22-27(25,26)17-6-2-4-16-5-3-9-21-19(16)17/h2-6,9,15,22H,7-8,10-14H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide?
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide has a molecular weight of 390.51 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(quinolin-8-ylsulfonylamino)acetamide is sourced from PubChem (CID 46957375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).