2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide

C13H16N2O4S — CID 60693704

IUPAC2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNC2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C13H16N2O4S/c1-19-12-4-2-3-10(7-12)15-13(16)8-14-11-5-6-20(17,18)9-11/h2-7,11,14H,8-9H2,1H3,(H,15,16)
InChIKeyQXWRVJBWKNLWLG-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.53
Rot. Bonds5

About 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide

2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 60693704) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID60693704
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNC2C=CS(=O)(=O)C2)c1
InChIInChI=1S/C13H16N2O4S/c1-19-12-4-2-3-10(7-12)15-13(16)8-14-11-5-6-20(17,18)9-11/h2-7,11,14H,8-9H2,1H3,(H,15,16)
InChIKeyQXWRVJBWKNLWLG-UHFFFAOYSA-N
XLogP0.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388
ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003643
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538
N-(3-methoxyphenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725273
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(3-methoxyphenyl)acetamide
CID 104696228
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
CID 43180111
N-(3-methoxyphenyl)-2-[(2-oxooxolan-3-yl)amino]acetamide
CID 43825760
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide (CID 60693704) is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNC2C=CS(=O)(=O)C2)c1.
What is the InChIKey of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is QXWRVJBWKNLWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-19-12-4-2-3-10(7-12)15-13(16)8-14-11-5-6-20(17,18)9-11/h2-7,11,14H,8-9H2,1H3,(H,15,16).
What are the key properties of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide?
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 296.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 60693704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).