N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide

C14H17N3O3S — CID 113071737

IUPACN-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C14H17N3O3S/c1-11(18)15-9-10-17(21(2,19)20)13-7-3-5-12-6-4-8-16-14(12)13/h3-8H,9-10H2,1-2H3,(H,15,18)
InChIKeyIFNXUJIYLSVBAX-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.14
Rot. Bonds5

About N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide

N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide (PubChem CID 113071737) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
PubChem CID113071737
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C14H17N3O3S/c1-11(18)15-9-10-17(21(2,19)20)13-7-3-5-12-6-4-8-16-14(12)13/h3-8H,9-10H2,1-2H3,(H,15,18)
InChIKeyIFNXUJIYLSVBAX-UHFFFAOYSA-N
XLogP1.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747
2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
CID 113071751
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146267
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156678
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide
CID 113071538
N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146292
N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156712
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide (CID 113071737) is N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide is CC(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide?
The InChIKey is IFNXUJIYLSVBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-11(18)15-9-10-17(21(2,19)20)13-7-3-5-12-6-4-8-16-14(12)13/h3-8H,9-10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide?
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide is sourced from PubChem (CID 113071737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).