N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide

C16H24N2O4S — CID 164663281

IUPACN-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNC1CS(=O)(=O)CC1O
InChIInChI=1S/C16H24N2O4S/c1-3-11-6-5-7-12(4-2)16(11)18-15(20)8-17-13-9-23(21,22)10-14(13)19/h5-7,13-14,17,19H,3-4,8-10H2,1-2H3,(H,18,20)
InChIKeyDEZKWVJKBLDIFQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.50
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide

N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide (PubChem CID 164663281) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide
PubChem CID164663281
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CNC1CS(=O)(=O)CC1O
InChIInChI=1S/C16H24N2O4S/c1-3-11-6-5-7-12(4-2)16(11)18-15(20)8-17-13-9-23(21,22)10-14(13)19/h5-7,13-14,17,19H,3-4,8-10H2,1-2H3,(H,18,20)
InChIKeyDEZKWVJKBLDIFQ-UHFFFAOYSA-N
XLogP0.50
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-(2-ethyl-6-methylanilino)-1,1-dioxothiolan-3-ol
CID 1413789
4-[(2-ethylphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 64681377
2-(cyclopentylamino)-N-(2,6-diethylphenyl)acetamide
CID 60647214
N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
CID 11939615
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide
CID 164663251
4-[(2-methyl-3-nitrophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 103114941
4-(2-methylprop-2-enylamino)-1,1-dioxothiolan-3-ol
CID 114616796
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289
N-[2-(2,6-diethylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 112997279

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide (CID 164663281) is N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide is CCc1cccc(CC)c1NC(=O)CNC1CS(=O)(=O)CC1O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide?
The InChIKey is DEZKWVJKBLDIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-11-6-5-7-12(4-2)16(11)18-15(20)8-17-13-9-23(21,22)10-14(13)19/h5-7,13-14,17,19H,3-4,8-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide?
N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide has a molecular weight of 340.45 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide is sourced from PubChem (CID 164663281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).