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

C20H21N3O4S — CID 113071764

IUPACN-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C20H21N3O4S/c1-28(25,26)23(18-11-5-7-16-8-6-12-22-20(16)18)14-13-21-19(24)15-27-17-9-3-2-4-10-17/h2-12H,13-15H2,1H3,(H,21,24)
InChIKeyDNQVZZYLXXJDOQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.20
Rot. Bonds8

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

N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide (PubChem CID 113071764) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
PubChem CID113071764
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C20H21N3O4S/c1-28(25,26)23(18-11-5-7-16-8-6-12-22-20(16)18)14-13-21-19(24)15-27-17-9-3-2-4-10-17/h2-12H,13-15H2,1H3,(H,21,24)
InChIKeyDNQVZZYLXXJDOQ-UHFFFAOYSA-N
XLogP2.20
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
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-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113071835
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
CID 113071299
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146292
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146267
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide (CID 113071764) is N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide is CS(=O)(=O)N(CCNC(=O)COc1ccccc1)c1cccc2cccnc12.
What is the InChIKey of N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide?
The InChIKey is DNQVZZYLXXJDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-28(25,26)23(18-11-5-7-16-8-6-12-22-20(16)18)14-13-21-19(24)15-27-17-9-3-2-4-10-17/h2-12H,13-15H2,1H3,(H,21,24).
What are the key properties of N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide?
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide has a molecular weight of 399.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113071764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).