N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide

C14H20N2O3S — CID 146152852

IUPACN-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(N2CC(C)CS2(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-8-16(20(18,19)9-10)14-6-4-13(5-7-14)11(2)15-12(3)17/h4-7,10-11H,8-9H2,1-3H3,(H,15,17)
InChIKeyVAFLMVYCRLYJHQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.67
Rot. Bonds3

About N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide

N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide (PubChem CID 146152852) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide
PubChem CID146152852
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(N2CC(C)CS2(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-8-16(20(18,19)9-10)14-6-4-13(5-7-14)11(2)15-12(3)17/h4-7,10-11H,8-9H2,1-3H3,(H,15,17)
InChIKeyVAFLMVYCRLYJHQ-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438
N-[1-[4-[1-[4-(difluoromethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123762188
4-[(1R)-1-acetamidoethyl]benzamide
CID 175730971
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920
(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
CID 93256546
N-[(1S)-1-[4-[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473406
2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132660324
(3S)-1-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 99970531
N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123555174
N-[(1R)-1-[4-[(2S)-2-chloropropanoyl]phenyl]ethyl]acetamide
CID 124500379
N-[(1S)-1-[4-[1-[4-(3-fluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473437

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide (CID 146152852) is N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(N2CC(C)CS2(=O)=O)cc1.
What is the InChIKey of N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide?
The InChIKey is VAFLMVYCRLYJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-8-16(20(18,19)9-10)14-6-4-13(5-7-14)11(2)15-12(3)17/h4-7,10-11H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide?
N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 146152852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).