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

C17H19NO4S2 — CID 4594461

IUPACN-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19NO4S2/c19-17(12-22-15-5-2-1-3-6-15)18(11-16-7-4-9-23-16)14-8-10-24(20,21)13-14/h1-7,9,14H,8,10-13H2
InChIKeyILLSBTKKJARUEM-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.34
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4594461) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4594461
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19NO4S2/c19-17(12-22-15-5-2-1-3-6-15)18(11-16-7-4-9-23-16)14-8-10-24(20,21)13-14/h1-7,9,14H,8,10-13H2
InChIKeyILLSBTKKJARUEM-UHFFFAOYSA-N
XLogP2.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.34
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-phenoxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide (CID 4594461) is N-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ILLSBTKKJARUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c19-17(12-22-15-5-2-1-3-6-15)18(11-16-7-4-9-23-16)14-8-10-24(20,21)13-14/h1-7,9,14H,8,10-13H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.34, 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-phenoxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4594461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).