N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H30N2O4S2 — CID 86946284

IUPACN-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOCC1CCN(CC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H30N2O4S2/c1-2-25-14-16-5-8-20(9-6-16)13-19(22)21(12-18-4-3-10-26-18)17-7-11-27(23,24)15-17/h3-4,10,16-17H,2,5-9,11-15H2,1H3
InChIKeyIVBLTUYCHBAURJ-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.01
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 86946284) has the molecular formula C19H30N2O4S2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID86946284
Molecular FormulaC19H30N2O4S2
Molecular Weight414.59 g/mol
Exact Mass414.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOCC1CCN(CC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H30N2O4S2/c1-2-25-14-16-5-8-20(9-6-16)13-19(22)21(12-18-4-3-10-26-18)17-7-11-27(23,24)15-17/h3-4,10,16-17H,2,5-9,11-15H2,1H3
InChIKeyIVBLTUYCHBAURJ-UHFFFAOYSA-N
XLogP2.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 78807778
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 120773636
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 120773635
2-[cyclopropylmethyl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86910904
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 3366355
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7183268
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 41077888
N-(1,1-dioxothiolan-3-yl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 78900941
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3719208
2-(2-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 46821915
N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 43030960

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 86946284) is N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is CCOCC1CCN(CC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IVBLTUYCHBAURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S2/c1-2-25-14-16-5-8-20(9-6-16)13-19(22)21(12-18-4-3-10-26-18)17-7-11-27(23,24)15-17/h3-4,10,16-17H,2,5-9,11-15H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 414.59 g/mol, XLogP of 2.01, 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)-2-[4-(ethoxymethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 86946284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).