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

C24H25N3O3S — CID 6553976

IUPACN-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1
InChIInChI=1S/C24H25N3O3S/c1-17-16-23(26-19-8-4-3-5-9-19)22-10-6-7-11-24(22)27(17)31(29,30)21-14-12-20(13-15-21)25-18(2)28/h3-15,17,23,26H,16H2,1-2H3,(H,25,28)/t17-,23-/m1/s1
InChIKeyBPYWEFAOMGHYPY-UZUQRXQVSA-N
MW435.55 g/mol
LogP4.79
Rot. Bonds5

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

N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide (PubChem CID 6553976) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
PubChem CID6553976
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1
InChIInChI=1S/C24H25N3O3S/c1-17-16-23(26-19-8-4-3-5-9-19)22-10-6-7-11-24(22)27(17)31(29,30)21-14-12-20(13-15-21)25-18(2)28/h3-15,17,23,26H,16H2,1-2H3,(H,25,28)/t17-,23-/m1/s1
InChIKeyBPYWEFAOMGHYPY-UZUQRXQVSA-N
XLogP4.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide with MolForge

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Related Compounds

2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine
CID 588949
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 695224
1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 58032201
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 160893183
1-adamantyl-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 29056322
N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859667
(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 153347967
1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25254317
methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
CID 2998844
1-(4-tert-butylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 55598551

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide (CID 6553976) is N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1.
What is the InChIKey of N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide?
The InChIKey is BPYWEFAOMGHYPY-UZUQRXQVSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-17-16-23(26-19-8-4-3-5-9-19)22-10-6-7-11-24(22)27(17)31(29,30)21-14-12-20(13-15-21)25-18(2)28/h3-15,17,23,26H,16H2,1-2H3,(H,25,28)/t17-,23-/m1/s1.
What are the key properties of N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide?
N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 6553976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).