N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide

C18H20N2O2S2 — CID 22120401

IUPACN,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide
SMILESCC1CC(=O)c2c(SCC(=O)N(C)C)ccc(-c3nccs3)c2C1
InChIInChI=1S/C18H20N2O2S2/c1-11-8-13-12(18-19-6-7-23-18)4-5-15(17(13)14(21)9-11)24-10-16(22)20(2)3/h4-7,11H,8-10H2,1-3H3
InChIKeyCLOGMXCUAAQQRI-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.76
Rot. Bonds4

About N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide

N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide (PubChem CID 22120401) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide
PubChem CID22120401
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC NameN,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide
SMILESCC1CC(=O)c2c(SCC(=O)N(C)C)ccc(-c3nccs3)c2C1
InChIInChI=1S/C18H20N2O2S2/c1-11-8-13-12(18-19-6-7-23-18)4-5-15(17(13)14(21)9-11)24-10-16(22)20(2)3/h4-7,11H,8-10H2,1-3H3
InChIKeyCLOGMXCUAAQQRI-UHFFFAOYSA-N
XLogP3.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide (CID 22120401) is N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide is CC1CC(=O)c2c(SCC(=O)N(C)C)ccc(-c3nccs3)c2C1.
What is the InChIKey of N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide?
The InChIKey is CLOGMXCUAAQQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-11-8-13-12(18-19-6-7-23-18)4-5-15(17(13)14(21)9-11)24-10-16(22)20(2)3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide?
N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl]sulfanyl]acetamide is sourced from PubChem (CID 22120401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).