N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

C18H28N2O4S2 — CID 55409326

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(C(=O)CN(Cc1cccs1)CC1CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H28N2O4S2/c1-2-20(15-7-10-26(22,23)14-15)18(21)13-19(11-16-5-3-8-24-16)12-17-6-4-9-25-17/h4,6,9,15-16H,2-3,5,7-8,10-14H2,1H3
InChIKeyVAXGTYGPLNWHQP-UHFFFAOYSA-N
MW400.57 g/mol
LogP1.76
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 55409326) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID55409326
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(C(=O)CN(Cc1cccs1)CC1CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H28N2O4S2/c1-2-20(15-7-10-26(22,23)14-15)18(21)13-19(11-16-5-3-8-24-16)12-17-6-4-9-25-17/h4,6,9,15-16H,2-3,5,7-8,10-14H2,1H3
InChIKeyVAXGTYGPLNWHQP-UHFFFAOYSA-N
XLogP1.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 55648628
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(3-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 55648932
2-[benzyl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409905
2-[cyclopropylmethyl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86910904
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 29238107
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 124738796
2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025370
N-(ethylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055379
N-(ethylcarbamoyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 46823289
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 60500255
2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9055447

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (CID 55409326) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is CCN(C(=O)CN(Cc1cccs1)CC1CCCO1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is VAXGTYGPLNWHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c1-2-20(15-7-10-26(22,23)14-15)18(21)13-19(11-16-5-3-8-24-16)12-17-6-4-9-25-17/h4,6,9,15-16H,2-3,5,7-8,10-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 400.57 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 55409326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).