N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide

C19H21NO5S — CID 3129057

IUPACN-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NC3CCS(=O)(=O)C3)cc2)cc1
InChIInChI=1S/C19H21NO5S/c1-14-2-4-17(5-3-14)25-18-8-6-16(7-9-18)24-12-19(21)20-15-10-11-26(22,23)13-15/h2-9,15H,10-13H2,1H3,(H,20,21)
InChIKeyVRINWXHBODHXIG-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.47
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide (PubChem CID 3129057) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
PubChem CID3129057
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NC3CCS(=O)(=O)C3)cc2)cc1
InChIInChI=1S/C19H21NO5S/c1-14-2-4-17(5-3-14)25-18-8-6-16(7-9-18)24-12-19(21)20-15-10-11-26(22,23)13-15/h2-9,15H,10-13H2,1H3,(H,20,21)
InChIKeyVRINWXHBODHXIG-UHFFFAOYSA-N
XLogP2.47
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide (CID 3129057) is N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide is Cc1ccc(Oc2ccc(OCC(=O)NC3CCS(=O)(=O)C3)cc2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The InChIKey is VRINWXHBODHXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-14-2-4-17(5-3-14)25-18-8-6-16(7-9-18)24-12-19(21)20-15-10-11-26(22,23)13-15/h2-9,15H,10-13H2,1H3,(H,20,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 3129057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).