N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C18H21NO5S2 — CID 3549724

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO5S2/c1-23-16-6-2-3-7-17(16)24-12-18(20)19(11-15-5-4-9-25-15)14-8-10-26(21,22)13-14/h2-7,9,14H,8,10-13H2,1H3
InChIKeyJBDINVIIHJALHP-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.35
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3549724) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3549724
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO5S2/c1-23-16-6-2-3-7-17(16)24-12-18(20)19(11-15-5-4-9-25-15)14-8-10-26(21,22)13-14/h2-7,9,14H,8,10-13H2,1H3
InChIKeyJBDINVIIHJALHP-UHFFFAOYSA-N
XLogP2.35
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 3549724) is N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide is COc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JBDINVIIHJALHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c1-23-16-6-2-3-7-17(16)24-12-18(20)19(11-15-5-4-9-25-15)14-8-10-26(21,22)13-14/h2-7,9,14H,8,10-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.35, 7 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-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3549724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).