N-(4-phenoxyphenyl)ethanethioamide

C14H13NOS — CID 59402779

IUPACN-(4-phenoxyphenyl)ethanethioamide
SMILESCC(=S)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13NOS/c1-11(17)15-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,17)
InChIKeyQQPTZUQYCWRSGY-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.24
Rot. Bonds3

About N-(4-phenoxyphenyl)ethanethioamide

N-(4-phenoxyphenyl)ethanethioamide (PubChem CID 59402779) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)ethanethioamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)ethanethioamide
PubChem CID59402779
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC NameN-(4-phenoxyphenyl)ethanethioamide
SMILESCC(=S)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13NOS/c1-11(17)15-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,17)
InChIKeyQQPTZUQYCWRSGY-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
1-amino-3-(4-phenoxyphenyl)thiourea
CID 2760348
1-amino-1-methyl-3-(4-phenoxyphenyl)thiourea
CID 86133319
1-(2-methylprop-2-enyl)-3-(4-phenoxyphenyl)thiourea
CID 3625084
phenoxybenzene;N-phenylacetamide
CID 174350344
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
1-[(2R)-butan-2-yl]-3-(4-phenoxyphenyl)thiourea
CID 7342646
1-[(2S)-butan-2-yl]-3-(4-phenoxyphenyl)thiourea
CID 7342647
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)ethanethioamide?
The IUPAC name of N-(4-phenoxyphenyl)ethanethioamide (CID 59402779) is N-(4-phenoxyphenyl)ethanethioamide.
What is the SMILES notation for N-(4-phenoxyphenyl)ethanethioamide?
The canonical SMILES for N-(4-phenoxyphenyl)ethanethioamide is CC(=S)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)ethanethioamide?
The InChIKey is QQPTZUQYCWRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-11(17)15-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,17).
What are the key properties of N-(4-phenoxyphenyl)ethanethioamide?
N-(4-phenoxyphenyl)ethanethioamide has a molecular weight of 243.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)ethanethioamide is sourced from PubChem (CID 59402779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).