(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide

C18H20N2O4S — CID 94008813

IUPAC(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCc1cccc(Oc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C18H20N2O4S/c1-2-13-4-3-5-16(10-13)24-17-7-6-15(11-19-17)20-18(21)14-8-9-25(22,23)12-14/h3-7,10-11,14H,2,8-9,12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyYDVHFJUAWGBNIP-CQSZACIVSA-N
MW360.44 g/mol
LogP2.81
Rot. Bonds5

About (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide

(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 94008813) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID94008813
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCc1cccc(Oc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C18H20N2O4S/c1-2-13-4-3-5-16(10-13)24-17-7-6-15(11-19-17)20-18(21)14-8-9-25(22,23)12-14/h3-7,10-11,14H,2,8-9,12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyYDVHFJUAWGBNIP-CQSZACIVSA-N
XLogP2.81
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide with MolForge

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Related Compounds

(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide
CID 120635226
N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
CID 119858521
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795027
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119858536
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119858535
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(6-phenoxy-3-pyridinyl)urea
CID 97454774
3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea
CID 60543128
4-(aminomethyl)-N-[6-(3-ethylphenoxy)-3-pyridinyl]oxane-4-carboxamide;dihydrochloride
CID 120939703
N-(3-amino-4-ethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 62057642
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
N-[3-(methylaminomethyl)phenyl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
CID 119441093
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide (CID 94008813) is (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide is CCc1cccc(Oc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)c1.
What is the InChIKey of (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is YDVHFJUAWGBNIP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-13-4-3-5-16(10-13)24-17-7-6-15(11-19-17)20-18(21)14-8-9-25(22,23)12-14/h3-7,10-11,14H,2,8-9,12H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide?
(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 94008813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).