N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide

C12H16N2O3S — CID 24704399

IUPACN-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C12H16N2O3S/c1-9(15)13-10-3-2-4-11(7-10)14-12-5-6-18(16,17)8-12/h2-4,7,12,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyYFZVYUMVCIFGME-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.24
Rot. Bonds3

About N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide

N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide (PubChem CID 24704399) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
PubChem CID24704399
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C12H16N2O3S/c1-9(15)13-10-3-2-4-11(7-10)14-12-5-6-18(16,17)8-12/h2-4,7,12,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyYFZVYUMVCIFGME-UHFFFAOYSA-N
XLogP1.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
N-[3-[[4-[(1,1-dioxothiolan-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112921765
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
N-[3-[[4-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112895908
N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
CID 63162861
N-(3-acetamidophenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42654442
2-(3-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109260824
2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18870054
N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide
CID 6987651
(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 7116118
N-(3-acetamidophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108526481
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193168

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide (CID 24704399) is N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide?
The InChIKey is YFZVYUMVCIFGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9(15)13-10-3-2-4-11(7-10)14-12-5-6-18(16,17)8-12/h2-4,7,12,14H,5-6,8H2,1H3,(H,13,15).
What are the key properties of N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide?
N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide has a molecular weight of 268.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 24704399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).