2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide

C17H18BrNO5S — CID 3720544

IUPAC2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18BrNO5S/c18-13-3-5-15(6-4-13)24-11-17(20)19(10-16-2-1-8-23-16)14-7-9-25(21,22)12-14/h1-6,8,14H,7,9-12H2
InChIKeyQGIIAFMMTCVRBO-UHFFFAOYSA-N
MW428.30 g/mol
LogP2.64
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide

2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 3720544) has the molecular formula C17H18BrNO5S and a molecular weight of 428.30 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID3720544
Molecular FormulaC17H18BrNO5S
Molecular Weight428.30 g/mol
Exact Mass427.01
IUPAC Name2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18BrNO5S/c18-13-3-5-15(6-4-13)24-11-17(20)19(10-16-2-1-8-23-16)14-7-9-25(21,22)12-14/h1-6,8,14H,7,9-12H2
InChIKeyQGIIAFMMTCVRBO-UHFFFAOYSA-N
XLogP2.64
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide (CID 3720544) is 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide is O=C(COc1ccc(Br)cc1)N(Cc1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QGIIAFMMTCVRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO5S/c18-13-3-5-15(6-4-13)24-11-17(20)19(10-16-2-1-8-23-16)14-7-9-25(21,22)12-14/h1-6,8,14H,7,9-12H2.
What are the key properties of 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide?
2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 428.30 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3720544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).