N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide

C17H20N2O3S2 — CID 41272854

IUPACN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc2ccccc12
InChIInChI=1S/C17H20N2O3S2/c1-12-9-16(18-14-6-4-3-5-13(12)14)23-10-15(20)19-17(2)7-8-24(21,22)11-17/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyCFWCPUDFAFJQLW-KRWDZBQOSA-N
MW364.49 g/mol
LogP2.33
Rot. Bonds4

About N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 41272854) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID41272854
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc2ccccc12
InChIInChI=1S/C17H20N2O3S2/c1-12-9-16(18-14-6-4-3-5-13(12)14)23-10-15(20)19-17(2)7-8-24(21,22)11-17/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyCFWCPUDFAFJQLW-KRWDZBQOSA-N
XLogP2.33
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329623
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 40551077
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 25451111
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16510910
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
2-(4-chlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7816357

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 41272854) is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)nc2ccccc12.
What is the InChIKey of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is CFWCPUDFAFJQLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12-9-16(18-14-6-4-3-5-13(12)14)23-10-15(20)19-17(2)7-8-24(21,22)11-17/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 364.49 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 41272854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).