N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

C17H24N2O3S — CID 75387723

IUPACN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESCC1(C)CCc2ccccc2C1NC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-17(2)9-8-13-6-3-4-7-14(13)16(17)18-15(20)12-19-10-5-11-23(19,21)22/h3-4,6-7,16H,5,8-12H2,1-2H3,(H,18,20)
InChIKeyTTWGOJARNMMXMK-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.85
Rot. Bonds3

About N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (PubChem CID 75387723) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
PubChem CID75387723
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESCC1(C)CCc2ccccc2C1NC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-17(2)9-8-13-6-3-4-7-14(13)16(17)18-15(20)12-19-10-5-11-23(19,21)22/h3-4,6-7,16H,5,8-12H2,1-2H3,(H,18,20)
InChIKeyTTWGOJARNMMXMK-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (CID 75387723) is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is CC1(C)CCc2ccccc2C1NC(=O)CN1CCCS1(=O)=O.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The InChIKey is TTWGOJARNMMXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-17(2)9-8-13-6-3-4-7-14(13)16(17)18-15(20)12-19-10-5-11-23(19,21)22/h3-4,6-7,16H,5,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is sourced from PubChem (CID 75387723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).