N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

C21H24ClN3O5S — CID 90624004

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccccc1Cl
InChIInChI=1S/C21H24ClN3O5S/c1-30-19(16-7-3-4-8-17(16)22)13-23-20(26)21(27)24-15-10-9-14-6-5-11-25(18(14)12-15)31(2,28)29/h3-4,7-10,12,19H,5-6,11,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUIBUUIQNZQHJEZ-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.49
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide (PubChem CID 90624004) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
PubChem CID90624004
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccccc1Cl
InChIInChI=1S/C21H24ClN3O5S/c1-30-19(16-7-3-4-8-17(16)22)13-23-20(26)21(27)24-15-10-9-14-6-5-11-25(18(14)12-15)31(2,28)29/h3-4,7-10,12,19H,5-6,11,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUIBUUIQNZQHJEZ-UHFFFAOYSA-N
XLogP2.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 71804798
N-(2,2-diethoxyethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688082
N-(3-hydroxypropyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688066
N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide
CID 90623969
N-(2-methoxy-2-phenylbutyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90599777
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 90623967
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90623997
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 121085929
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876254
2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7688075

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide (CID 90624004) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide is COC(CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The InChIKey is UIBUUIQNZQHJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-30-19(16-7-3-4-8-17(16)22)13-23-20(26)21(27)24-15-10-9-14-6-5-11-25(18(14)12-15)31(2,28)29/h3-4,7-10,12,19H,5-6,11,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide has a molecular weight of 465.96 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide is sourced from PubChem (CID 90624004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).