N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide

C12H16N2O3S — CID 110603917

IUPACN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
SMILESCC(=O)NC1CCN(S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-9(15)13-11-7-8-14(18(2,16)17)12-6-4-3-5-10(11)12/h3-6,11H,7-8H2,1-2H3,(H,13,15)
InChIKeyZPHKWYGZJTYBDN-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.03
Rot. Bonds2

About N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide (PubChem CID 110603917) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
PubChem CID110603917
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
SMILESCC(=O)NC1CCN(S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-9(15)13-11-7-8-14(18(2,16)17)12-6-4-3-5-10(11)12/h3-6,11H,7-8H2,1-2H3,(H,13,15)
InChIKeyZPHKWYGZJTYBDN-UHFFFAOYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)cyclopropanecarboxamide
CID 110424127
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)cyclohexanecarboxamide
CID 110424130
1-tert-butyl-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110667441
2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 110603939
1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-4-amine
CID 110612322
3,5-dimethyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)-1,2-oxazole-4-sulfonamide
CID 110424242
2-cyano-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide
CID 110424253
(2S)-5-methylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 125042920
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
(2S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 94023409
1-methylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 166050469
N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
CID 110751361

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide?
The IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide (CID 110603917) is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide.
What is the SMILES notation for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide?
The canonical SMILES for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide is CC(=O)NC1CCN(S(C)(=O)=O)c2ccccc21.
What is the InChIKey of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide?
The InChIKey is ZPHKWYGZJTYBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9(15)13-11-7-8-14(18(2,16)17)12-6-4-3-5-10(11)12/h3-6,11H,7-8H2,1-2H3,(H,13,15).
What are the key properties of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide?
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide has a molecular weight of 268.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)acetamide is sourced from PubChem (CID 110603917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).