2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide

C24H31N3O6S — CID 3242464

IUPAC2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C(C)C)c(OC)c1
InChIInChI=1S/C24H31N3O6S/c1-15(2)23(24(29)25-20-10-8-18(32-4)14-22(20)33-5)26-34(30,31)19-9-11-21-17(13-19)7-6-12-27(21)16(3)28/h8-11,13-15,23,26H,6-7,12H2,1-5H3,(H,25,29)
InChIKeyGPWISGLFPYRAQW-UHFFFAOYSA-N
MW489.59 g/mol
LogP2.94
Rot. Bonds8

About 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide

2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide (PubChem CID 3242464) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
PubChem CID3242464
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C(C)C)c(OC)c1
InChIInChI=1S/C24H31N3O6S/c1-15(2)23(24(29)25-20-10-8-18(32-4)14-22(20)33-5)26-34(30,31)19-9-11-21-17(13-19)7-6-12-27(21)16(3)28/h8-11,13-15,23,26H,6-7,12H2,1-5H3,(H,25,29)
InChIKeyGPWISGLFPYRAQW-UHFFFAOYSA-N
XLogP2.94
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide 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

(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 92661445
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 26545548
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide
CID 92661652
(2R)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 92662217
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide
CID 5323111
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide
CID 20856570
(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide
CID 92705152
(2S)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 92662222
(2R)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 92662221
1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133217517
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-4-methylpentanamide
CID 20856205

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide?
The IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide (CID 3242464) is 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide is COc1ccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C(C)C)c(OC)c1.
What is the InChIKey of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide?
The InChIKey is GPWISGLFPYRAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-15(2)23(24(29)25-20-10-8-18(32-4)14-22(20)33-5)26-34(30,31)19-9-11-21-17(13-19)7-6-12-27(21)16(3)28/h8-11,13-15,23,26H,6-7,12H2,1-5H3,(H,25,29).
What are the key properties of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide?
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide has a molecular weight of 489.59 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 3242464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).