N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide

C17H18N2O2S — CID 3320156

IUPACN-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide
SMILESCCN(C(=S)NC(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-2-19(14-9-5-3-6-10-14)17(22)18-16(20)13-21-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,20,22)
InChIKeyDLFYMLPCAPLGOG-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.99
Rot. Bonds5

About N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide

N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide (PubChem CID 3320156) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide
PubChem CID3320156
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide
SMILESCCN(C(=S)NC(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-2-19(14-9-5-3-6-10-14)17(22)18-16(20)13-21-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,20,22)
InChIKeyDLFYMLPCAPLGOG-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide
CID 3326115
2-(2,4-dibromo-6-methylphenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide
CID 3326021
N-[ethyl(phenyl)carbamothioyl]-3-methylbut-2-enamide
CID 5064193
N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952165
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide
CID 4950338
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
(Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid
CID 24974135
N'-chloro-2-phenoxyacetohydrazide
CID 174818653
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665
2-phenoxy-N-phenyl-N-(phenylcarbamothioyl)acetamide
CID 87658528
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
CID 16787196

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide?
The IUPAC name of N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide (CID 3320156) is N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide?
The canonical SMILES for N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide is CCN(C(=S)NC(=O)COc1ccccc1)c1ccccc1.
What is the InChIKey of N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide?
The InChIKey is DLFYMLPCAPLGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-19(14-9-5-3-6-10-14)17(22)18-16(20)13-21-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,20,22).
What are the key properties of N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide?
N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide has a molecular weight of 314.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide is sourced from PubChem (CID 3320156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).