N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide

C16H23NO4S — CID 154784432

IUPACN-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CCS(=O)(=O)C(C)(C)C2)c1
InChIInChI=1S/C16H23NO4S/c1-16(2)11-13(7-8-22(16,19)20)17-15(18)10-12-5-4-6-14(9-12)21-3/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,17,18)
InChIKeyUFMCDVSZZRTNLI-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.71
Rot. Bonds4

About N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide

N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 154784432) 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-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID154784432
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC NameN-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC2CCS(=O)(=O)C(C)(C)C2)c1
InChIInChI=1S/C16H23NO4S/c1-16(2)11-13(7-8-22(16,19)20)17-15(18)10-12-5-4-6-14(9-12)21-3/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,17,18)
InChIKeyUFMCDVSZZRTNLI-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-(3-methoxyphenyl)acetamide
CID 79698743
2-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601993
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 110822281
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 94024614
2-(3-methoxyphenyl)-N-[1-(2-methylthiophene-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 166321674

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide (CID 154784432) is N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC2CCS(=O)(=O)C(C)(C)C2)c1.
What is the InChIKey of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is UFMCDVSZZRTNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-16(2)11-13(7-8-22(16,19)20)17-15(18)10-12-5-4-6-14(9-12)21-3/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide?
N-(2,2-dimethyl-1,1-dioxothian-4-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.71, 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 154784432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).