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

C17H26N2O5S — CID 164663251

IUPACN-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(CCO)C1CS(=O)(=O)CC1O
InChIInChI=1S/C17H26N2O5S/c1-3-13-6-4-5-12(2)17(13)18-16(22)9-19(7-8-20)14-10-25(23,24)11-15(14)21/h4-6,14-15,20-21H,3,7-11H2,1-2H3,(H,18,22)
InChIKeyNCFOYOWTYYFLEY-UHFFFAOYSA-N
MW370.47 g/mol
LogP-0.05
Rot. Bonds7

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

N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide (PubChem CID 164663251) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide
PubChem CID164663251
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(CCO)C1CS(=O)(=O)CC1O
InChIInChI=1S/C17H26N2O5S/c1-3-13-6-4-5-12(2)17(13)18-16(22)9-19(7-8-20)14-10-25(23,24)11-15(14)21/h4-6,14-15,20-21H,3,7-11H2,1-2H3,(H,18,22)
InChIKeyNCFOYOWTYYFLEY-UHFFFAOYSA-N
XLogP-0.05
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide with MolForge

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 110892083
N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299311
(3R,4R)-4-(2-ethyl-6-methylanilino)-1,1-dioxothiolan-3-ol
CID 1413789
N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide
CID 164663281
2-[(1,1-dioxothiolan-3-yl)-[(4-methoxyphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 55446333
2-[acetyl(cyclohexyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113159510
3-[acetyl(cycloheptyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122716
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 84562403
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide (CID 164663251) is N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide is CCc1cccc(C)c1NC(=O)CN(CCO)C1CS(=O)(=O)CC1O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide?
The InChIKey is NCFOYOWTYYFLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-3-13-6-4-5-12(2)17(13)18-16(22)9-19(7-8-20)14-10-25(23,24)11-15(14)21/h4-6,14-15,20-21H,3,7-11H2,1-2H3,(H,18,22).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide has a molecular weight of 370.47 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 164663251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).