N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide

C25H32N4O4S — CID 26372619

IUPACN-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C25H32N4O4S/c1-18-6-4-8-22(19(18)2)26-24(30)17-27-12-14-28(15-13-27)25(31)21-9-10-23-20(16-21)7-5-11-29(23)34(3,32)33/h4,6,8-10,16H,5,7,11-15,17H2,1-3H3,(H,26,30)
InChIKeyQGPXIISWMPMYIU-UHFFFAOYSA-N
MW484.62 g/mol
LogP2.41
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide (PubChem CID 26372619) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide
PubChem CID26372619
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C25H32N4O4S/c1-18-6-4-8-22(19(18)2)26-24(30)17-27-12-14-28(15-13-27)25(31)21-9-10-23-20(16-21)7-5-11-29(23)34(3,32)33/h4,6,8-10,16H,5,7,11-15,17H2,1-3H3,(H,26,30)
InChIKeyQGPXIISWMPMYIU-UHFFFAOYSA-N
XLogP2.41
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
2-[4-(4-amino-3-nitrobenzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27859814
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
CID 4267246
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 26283470
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone;hydrochloride
CID 119543836
N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 16576239
(3,5-dimethylpiperidin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 43016800
N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 27860198
N-(5-fluoro-2-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 7602964
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide (CID 26372619) is N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is QGPXIISWMPMYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-18-6-4-8-22(19(18)2)26-24(30)17-27-12-14-28(15-13-27)25(31)21-9-10-23-20(16-21)7-5-11-29(23)34(3,32)33/h4,6,8-10,16H,5,7,11-15,17H2,1-3H3,(H,26,30).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 484.62 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 26372619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).