N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide

C13H16N4O3S — CID 104850364

IUPACN-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H16N4O3S/c1-9(18)15-7-8-17-21(19,20)12-5-4-11(14)10-3-2-6-16-13(10)12/h2-6,17H,7-8,14H2,1H3,(H,15,18)
InChIKeyXNXXFMRKSPTCEX-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.23
Rot. Bonds5

About N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide

N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide (PubChem CID 104850364) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
PubChem CID104850364
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H16N4O3S/c1-9(18)15-7-8-17-21(19,20)12-5-4-11(14)10-3-2-6-16-13(10)12/h2-6,17H,7-8,14H2,1H3,(H,15,18)
InChIKeyXNXXFMRKSPTCEX-UHFFFAOYSA-N
XLogP0.23
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(5-aminoquinolin-8-yl)sulfonylamino]propanoate
CID 104850376
4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide
CID 104850380
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
N-[2-[(2-amino-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 62146437
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
CID 104850349
5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
CID 104850522
5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
CID 106413888
5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
CID 104850425
N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 62146789
N-[2-(methylamino)ethyl]-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120708645
5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide
CID 120715909
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide (CID 104850364) is N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(N)c2cccnc12.
What is the InChIKey of N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is XNXXFMRKSPTCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-9(18)15-7-8-17-21(19,20)12-5-4-11(14)10-3-2-6-16-13(10)12/h2-6,17H,7-8,14H2,1H3,(H,15,18).
What are the key properties of N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide?
N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 308.36 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 104850364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).