2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide

C18H22N2O3S2 — CID 2500149

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
SMILESCc1cc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12
InChIInChI=1S/C18H22N2O3S2/c1-12-5-4-6-15-13(2)9-16(19-18(12)15)24-10-17(21)20(3)14-7-8-25(22,23)11-14/h4-6,9,14H,7-8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyLOJJYOFTLWLWDS-CQSZACIVSA-N
MW378.52 g/mol
LogP2.59
Rot. Bonds4

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide (PubChem CID 2500149) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
PubChem CID2500149
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
SMILESCc1cc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12
InChIInChI=1S/C18H22N2O3S2/c1-12-5-4-6-15-13(2)9-16(19-18(12)15)24-10-17(21)20(3)14-7-8-25(22,23)11-14/h4-6,9,14H,7-8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyLOJJYOFTLWLWDS-CQSZACIVSA-N
XLogP2.59
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide with MolForge

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 2500155
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6599741
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(3-methylphenyl)sulfanylacetamide
CID 94214701
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 32711050
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7363859
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730552
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7556449
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41170706
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7646809
N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 7363744
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 4268429

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide (CID 2500149) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide is Cc1cc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide?
The InChIKey is LOJJYOFTLWLWDS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12-5-4-6-15-13(2)9-16(19-18(12)15)24-10-17(21)20(3)14-7-8-25(22,23)11-14/h4-6,9,14H,7-8,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide has a molecular weight of 378.52 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide is sourced from PubChem (CID 2500149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).