2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid

C26H27N3O5S — CID 67441012

IUPAC2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C3Nc4ccc(C(=O)O)cc4CC3(C)C)c2)cc1
InChIInChI=1S/C26H27N3O5S/c1-16(30)27-20-8-10-22(11-9-20)35(33,34)29-21-6-4-5-17(14-21)24-26(2,3)15-19-13-18(25(31)32)7-12-23(19)28-24/h4-14,24,28-29H,15H2,1-3H3,(H,27,30)(H,31,32)
InChIKeyOVAWIHXYOVZVNT-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.88
Rot. Bonds6

About 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid

2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid (PubChem CID 67441012) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
PubChem CID67441012
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C3Nc4ccc(C(=O)O)cc4CC3(C)C)c2)cc1
InChIInChI=1S/C26H27N3O5S/c1-16(30)27-20-8-10-22(11-9-20)35(33,34)29-21-6-4-5-17(14-21)24-26(2,3)15-19-13-18(25(31)32)7-12-23(19)28-24/h4-14,24,28-29H,15H2,1-3H3,(H,27,30)(H,31,32)
InChIKeyOVAWIHXYOVZVNT-UHFFFAOYSA-N
XLogP4.88
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid with MolForge

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Related Compounds

2-[3-[(4-acetamidophenyl)sulfinylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 141360463
2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67458350
2-[4-fluoro-3-[(3-fluorophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67440485
2-[3-(3,3-dimethyl-6-methylsulfonyl-2,4-dihydro-1H-quinolin-2-yl)anilino]-2-methylpropanoic acid
CID 67440484
2-[3-(3-amino-2,2-dimethylpropyl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 58476183
3,3-dimethyl-2-[3-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 58476260
3-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688702
4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 46388736
N-tert-butyl-4-[3-[3,3-dimethyl-6-(2-methylsulfonylacetyl)-2,4-dihydro-1H-quinolin-2-yl]phenyl]benzamide
CID 163553534
methyl 2-[3-(1-methoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate
CID 67439980
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2975645

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The IUPAC name of 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid (CID 67441012) is 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C3Nc4ccc(C(=O)O)cc4CC3(C)C)c2)cc1.
What is the InChIKey of 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The InChIKey is OVAWIHXYOVZVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-16(30)27-20-8-10-22(11-9-20)35(33,34)29-21-6-4-5-17(14-21)24-26(2,3)15-19-13-18(25(31)32)7-12-23(19)28-24/h4-14,24,28-29H,15H2,1-3H3,(H,27,30)(H,31,32).
What are the key properties of 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid has a molecular weight of 493.59 g/mol, XLogP of 4.88, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 67441012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).