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

C13H17NO4S — CID 17013970

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H17NO4S/c1-18-12-4-2-10(3-5-12)8-13(15)14-11-6-7-19(16,17)9-11/h2-5,11H,6-9H2,1H3,(H,14,15)
InChIKeyGHFXOEBUKSMCQG-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.54
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 17013970) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID17013970
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H17NO4S/c1-18-12-4-2-10(3-5-12)8-13(15)14-11-6-7-19(16,17)9-11/h2-5,11H,6-9H2,1H3,(H,14,15)
InChIKeyGHFXOEBUKSMCQG-UHFFFAOYSA-N
XLogP0.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 110852767
(3R)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 2449451
N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771301
2-(N-benzyl-4-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18144578
2-[[N-(1,1-dioxothiolan-3-yl)-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111140525
N-(1,1-dioxothiolan-3-yl)-N'-(4-methoxyphenyl)oxamide
CID 108502630
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549484
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
N-(1,1-dioxothiolan-3-yl)-3-[[N-[(4-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]propanamide
CID 111271435
1-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111142081
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
CID 95141629

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide (CID 17013970) is N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is GHFXOEBUKSMCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-18-12-4-2-10(3-5-12)8-13(15)14-11-6-7-19(16,17)9-11/h2-5,11H,6-9H2,1H3,(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 17013970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).