2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide

C17H21N3O3S — CID 60539907

IUPAC2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCC2)c2cccnc12
InChIInChI=1S/C17H21N3O3S/c1-12-8-9-15(14-7-4-10-19-17(12)14)24(22,23)20(11-16(18)21)13-5-2-3-6-13/h4,7-10,13H,2-3,5-6,11H2,1H3,(H2,18,21)
InChIKeyQDFFXUFQOOFJBN-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.96
Rot. Bonds5

About 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide

2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide (PubChem CID 60539907) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide
PubChem CID60539907
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCC2)c2cccnc12
InChIInChI=1S/C17H21N3O3S/c1-12-8-9-15(14-7-4-10-19-17(12)14)24(22,23)20(11-16(18)21)13-5-2-3-6-13/h4,7-10,13H,2-3,5-6,11H2,1H3,(H2,18,21)
InChIKeyQDFFXUFQOOFJBN-UHFFFAOYSA-N
XLogP1.96
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide?
The IUPAC name of 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide (CID 60539907) is 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide?
The canonical SMILES for 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCC2)c2cccnc12.
What is the InChIKey of 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide?
The InChIKey is QDFFXUFQOOFJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-8-9-15(14-7-4-10-19-17(12)14)24(22,23)20(11-16(18)21)13-5-2-3-6-13/h4,7-10,13H,2-3,5-6,11H2,1H3,(H2,18,21).
What are the key properties of 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide?
2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide is sourced from PubChem (CID 60539907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).