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

C20H21N3O3S — CID 113071751

IUPAC2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C20H21N3O3S/c1-15-7-3-4-10-17(15)20(24)22-13-14-23(27(2,25)26)18-11-5-8-16-9-6-12-21-19(16)18/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeyRQLIEXBLHAOFCX-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.74
Rot. Bonds6

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

2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide (PubChem CID 113071751) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
PubChem CID113071751
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C20H21N3O3S/c1-15-7-3-4-10-17(15)20(24)22-13-14-23(27(2,25)26)18-11-5-8-16-9-6-12-21-19(16)18/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeyRQLIEXBLHAOFCX-UHFFFAOYSA-N
XLogP2.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146267
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146292
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156678
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113069126
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide (CID 113071751) is 2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide is Cc1ccccc1C(=O)NCCN(c1cccc2cccnc12)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide?
The InChIKey is RQLIEXBLHAOFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-7-3-4-10-17(15)20(24)22-13-14-23(27(2,25)26)18-11-5-8-16-9-6-12-21-19(16)18/h3-12H,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide?
2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide is sourced from PubChem (CID 113071751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).