N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide

C14H28N2O4S — CID 51097200

IUPACN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide
SMILESCCN(CCOC(C)(C)C)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O4S/c1-5-16(7-8-20-14(2,3)4)10-13(17)15-12-6-9-21(18,19)11-12/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyCVJFUFUBYQNPIX-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.43
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide (PubChem CID 51097200) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide
PubChem CID51097200
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide
SMILESCCN(CCOC(C)(C)C)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O4S/c1-5-16(7-8-20-14(2,3)4)10-13(17)15-12-6-9-21(18,19)11-12/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyCVJFUFUBYQNPIX-UHFFFAOYSA-N
XLogP0.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
CID 26512857
2-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 129446377
N-(1,1-dioxothiolan-3-yl)-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149272
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
2-[(2-bromo-4,5-diethoxyphenyl)methyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17481956
N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149462
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2549104
N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18144581
2-[[3-(difluoromethoxy)phenyl]methyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47088151
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838279
2-[[2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]acetyl]amino]-N-phenylbenzamide
CID 4968783

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide (CID 51097200) is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide is CCN(CCOC(C)(C)C)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide?
The InChIKey is CVJFUFUBYQNPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-5-16(7-8-20-14(2,3)4)10-13(17)15-12-6-9-21(18,19)11-12/h12H,5-11H2,1-4H3,(H,15,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide has a molecular weight of 320.46 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetamide is sourced from PubChem (CID 51097200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).