N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide

C12H16N2O3S — CID 84586935

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc2c(c1)N(C)CCC2
InChIInChI=1S/C12H16N2O3S/c1-9(15)13-18(16,17)11-6-5-10-4-3-7-14(2)12(10)8-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyNSYLOLUYYSKBNQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.89
Rot. Bonds2

About N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide

N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide (PubChem CID 84586935) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
PubChem CID84586935
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc2c(c1)N(C)CCC2
InChIInChI=1S/C12H16N2O3S/c1-9(15)13-18(16,17)11-6-5-10-4-3-7-14(2)12(10)8-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyNSYLOLUYYSKBNQ-UHFFFAOYSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide 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

sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 154758669
N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 139012528
3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 110729158
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 75398819
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
CID 82411141
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide (CID 84586935) is N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide is CC(=O)NS(=O)(=O)c1ccc2c(c1)N(C)CCC2.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide?
The InChIKey is NSYLOLUYYSKBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9(15)13-18(16,17)11-6-5-10-4-3-7-14(2)12(10)8-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide has a molecular weight of 268.34 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide is sourced from PubChem (CID 84586935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).