N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide

C16H23NO4S — CID 138021737

IUPACN-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C16H23NO4S/c1-12-6-4-5-7-14(12)21-11-15(18)17-13-8-9-22(19,20)16(2,3)10-13/h4-7,13H,8-11H2,1-3H3,(H,17,18)
InChIKeyZYNQASMPWLSVCU-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.85
Rot. Bonds4

About N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide

N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 138021737) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide
PubChem CID138021737
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C16H23NO4S/c1-12-6-4-5-7-14(12)21-11-15(18)17-13-8-9-22(19,20)16(2,3)10-13/h4-7,13H,8-11H2,1-3H3,(H,17,18)
InChIKeyZYNQASMPWLSVCU-UHFFFAOYSA-N
XLogP1.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylcyclopentyl)-2-(2-fluorophenoxy)acetamide
CID 115880485
2-(2-methylphenoxy)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735883
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819905
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
CID 115880584
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 90597199
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide (CID 138021737) is N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NC1CCS(=O)(=O)C(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is ZYNQASMPWLSVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-12-6-4-5-7-14(12)21-11-15(18)17-13-8-9-22(19,20)16(2,3)10-13/h4-7,13H,8-11H2,1-3H3,(H,17,18).
What are the key properties of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide?
N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 138021737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).