(5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione

C21H19N3O4S — CID 54583412

IUPAC(5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(S(C)(=O)=O)cc2)C(=O)N1Cc1ccnc2ccccc12
InChIInChI=1S/C21H19N3O4S/c1-14-20(25)24(16-7-9-17(10-8-16)29(2,27)28)21(26)23(14)13-15-11-12-22-19-6-4-3-5-18(15)19/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyJWDCBJLGCVILNA-AWEZNQCLSA-N
MW409.47 g/mol
LogP3.00
Rot. Bonds4

About (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione

(5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 54583412) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID54583412
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name(5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(S(C)(=O)=O)cc2)C(=O)N1Cc1ccnc2ccccc12
InChIInChI=1S/C21H19N3O4S/c1-14-20(25)24(16-7-9-17(10-8-16)29(2,27)28)21(26)23(14)13-15-11-12-22-19-6-4-3-5-18(15)19/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyJWDCBJLGCVILNA-AWEZNQCLSA-N
XLogP3.00
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione 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

(5s)-5-Methyl-1-(Quinolin-4-Ylmethyl)-3-{4-[(Trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-Dione
CID 10008365
5,5-Dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 11758149
N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)cyclopropanecarboxamide
CID 10129145
3-Isopropyl-1-(4-(methylsulfonyl)phenyl)-1-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)urea
CID 21865599
3-Isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)methyl)urea
CID 44410870
(5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 9984883
(5R)-5-methyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 10257575
N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)acetamide
CID 10289786
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone
CID 2053102
N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide
CID 6620122
2-{3-[(2-methylbenzyl)sulfonyl]-1H-indol-1-yl}-1-(4-methylpiperidino)-1-ethanone
CID 12006178
(5S)-5-methyl-1-(pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 10346810

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione (CID 54583412) is (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccc(S(C)(=O)=O)cc2)C(=O)N1Cc1ccnc2ccccc12.
What is the InChIKey of (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is JWDCBJLGCVILNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-14-20(25)24(16-7-9-17(10-8-16)29(2,27)28)21(26)23(14)13-15-11-12-22-19-6-4-3-5-18(15)19/h3-12,14H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 409.47 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-(4-methylsulfonylphenyl)-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 54583412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).