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

C18H21NO4S2 — CID 662623

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO4S2/c1-14-5-2-3-7-17(14)23-12-18(20)19(11-16-6-4-9-24-16)15-8-10-25(21,22)13-15/h2-7,9,15H,8,10-13H2,1H3
InChIKeyQBMMXPBKICXZMV-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.65
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 662623) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID662623
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO4S2/c1-14-5-2-3-7-17(14)23-12-18(20)19(11-16-6-4-9-24-16)15-8-10-25(21,22)13-15/h2-7,9,15H,8,10-13H2,1H3
InChIKeyQBMMXPBKICXZMV-UHFFFAOYSA-N
XLogP2.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 662623) is N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QBMMXPBKICXZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-14-5-2-3-7-17(14)23-12-18(20)19(11-16-6-4-9-24-16)15-8-10-25(21,22)13-15/h2-7,9,15H,8,10-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 662623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).