N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide

C18H28N2O5S — CID 18144581

IUPACN-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)NC2CCS(=O)(=O)C2)cc1OC
InChIInChI=1S/C18H28N2O5S/c1-4-20(12-18(21)19-15-8-9-26(22,23)13-15)11-14-6-7-16(25-5-2)17(10-14)24-3/h6-7,10,15H,4-5,8-9,11-13H2,1-3H3,(H,19,21)
InChIKeyBYINECCUINWVAU-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.22
Rot. Bonds9

About N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide (PubChem CID 18144581) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
PubChem CID18144581
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)NC2CCS(=O)(=O)C2)cc1OC
InChIInChI=1S/C18H28N2O5S/c1-4-20(12-18(21)19-15-8-9-26(22,23)13-15)11-14-6-7-16(25-5-2)17(10-14)24-3/h6-7,10,15H,4-5,8-9,11-13H2,1-3H3,(H,19,21)
InChIKeyBYINECCUINWVAU-UHFFFAOYSA-N
XLogP1.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27097814
2-[(2-bromo-4,5-diethoxyphenyl)methyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17481956
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113165584
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
CID 26512857
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide
CID 27710236
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2549104
2-[[3-(difluoromethoxy)phenyl]methyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47088151
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18229693
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026297
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663377

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide (CID 18144581) is N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide is CCOc1ccc(CN(CC)CC(=O)NC2CCS(=O)(=O)C2)cc1OC.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The InChIKey is BYINECCUINWVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-4-20(12-18(21)19-15-8-9-26(22,23)13-15)11-14-6-7-16(25-5-2)17(10-14)24-3/h6-7,10,15H,4-5,8-9,11-13H2,1-3H3,(H,19,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide has a molecular weight of 384.50 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 18144581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).