N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C15H20N2O2S — CID 16549115

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN2CSCC2=O)c1
InChIInChI=1S/C15H20N2O2S/c1-10-4-5-11(2)13(6-10)12(3)16-14(18)7-17-9-20-8-15(17)19/h4-6,12H,7-9H2,1-3H3,(H,16,18)
InChIKeyXQUGWTJUPKINFO-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.01
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 16549115) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID16549115
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN2CSCC2=O)c1
InChIInChI=1S/C15H20N2O2S/c1-10-4-5-11(2)13(6-10)12(3)16-14(18)7-17-9-20-8-15(17)19/h4-6,12H,7-9H2,1-3H3,(H,16,18)
InChIKeyXQUGWTJUPKINFO-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60851256
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906380
3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 133225019
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 51618800
N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 91841614
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 124755182
diethyl 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanedioate
CID 33247441
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
CID 43469224
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26371784

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 16549115) is N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is Cc1ccc(C)c(C(C)NC(=O)CN2CSCC2=O)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is XQUGWTJUPKINFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-4-5-11(2)13(6-10)12(3)16-14(18)7-17-9-20-8-15(17)19/h4-6,12H,7-9H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 16549115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).