4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide

C17H22N2O4S — CID 17491820

IUPAC4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CC2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C17H22N2O4S/c1-3-19(4-2)17(21)14-5-7-15(8-6-14)18-16(20)11-13-9-10-24(22,23)12-13/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyWRKZDOLEZHEUES-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.06
Rot. Bonds6

About 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 17491820) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide
PubChem CID17491820
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CC2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C17H22N2O4S/c1-3-19(4-2)17(21)14-5-7-15(8-6-14)18-16(20)11-13-9-10-24(22,23)12-13/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyWRKZDOLEZHEUES-UHFFFAOYSA-N
XLogP2.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 17410193
4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 9047770
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 8705826
4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542934
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
N,N-diethyl-4-[[2-(1-hydroxycyclopentyl)acetyl]amino]benzamide
CID 111432194
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide (CID 17491820) is 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CC2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is WRKZDOLEZHEUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-3-19(4-2)17(21)14-5-7-15(8-6-14)18-16(20)11-13-9-10-24(22,23)12-13/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20).
What are the key properties of 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 350.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 17491820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).