N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide

C19H21NO5S — CID 16566586

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21NO5S/c1-2-24-15-7-9-16(10-8-15)25-18-6-4-3-5-17(18)20-19(21)14-11-12-26(22,23)13-14/h3-10,14H,2,11-13H2,1H3,(H,20,21)
InChIKeyRKOCJRGQCJEATJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.25
Rot. Bonds6

About N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide

N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 16566586) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID16566586
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21NO5S/c1-2-24-15-7-9-16(10-8-15)25-18-6-4-3-5-17(18)20-19(21)14-11-12-26(22,23)13-14/h3-10,14H,2,11-13H2,1H3,(H,20,21)
InChIKeyRKOCJRGQCJEATJ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
2-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974382
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide
CID 16566573
(2R)-N-[2-(4-ethoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 39971968
(3S)-N-[2-(4-ethoxyphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8873811
(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 94015109
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 7222858
(3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 9083679
N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64911937
1-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
CID 7944422
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
CID 109001684

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide (CID 16566586) is N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide is CCOc1ccc(Oc2ccccc2NC(=O)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is RKOCJRGQCJEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-2-24-15-7-9-16(10-8-15)25-18-6-4-3-5-17(18)20-19(21)14-11-12-26(22,23)13-14/h3-10,14H,2,11-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide?
N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 16566586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).