N-(3-methyl-2-phenoxyphenyl)ethanethioamide

C15H15NOS — CID 155056179

IUPACN-(3-methyl-2-phenoxyphenyl)ethanethioamide
SMILESCC(=S)Nc1cccc(C)c1Oc1ccccc1
InChIInChI=1S/C15H15NOS/c1-11-7-6-10-14(16-12(2)18)15(11)17-13-8-4-3-5-9-13/h3-10H,1-2H3,(H,16,18)
InChIKeyQBNODGXODZCKGF-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.55
Rot. Bonds3

About N-(3-methyl-2-phenoxyphenyl)ethanethioamide

N-(3-methyl-2-phenoxyphenyl)ethanethioamide (PubChem CID 155056179) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(3-methyl-2-phenoxyphenyl)ethanethioamide.

Molecular Properties

Compound NameN-(3-methyl-2-phenoxyphenyl)ethanethioamide
PubChem CID155056179
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(3-methyl-2-phenoxyphenyl)ethanethioamide
SMILESCC(=S)Nc1cccc(C)c1Oc1ccccc1
InChIInChI=1S/C15H15NOS/c1-11-7-6-10-14(16-12(2)18)15(11)17-13-8-4-3-5-9-13/h3-10H,1-2H3,(H,16,18)
InChIKeyQBNODGXODZCKGF-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.55
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-[(3-methyl-2-phenoxyanilino)methylidene]propanedinitrile
CID 168543654
N-(4-phenoxyphenyl)ethanethioamide
CID 59402779
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CID 155714526
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379
(2-methyl-6-phenoxyphenyl) acetate
CID 163299035
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
(E)-2-methyl-N-(2-methylphenyl)but-2-enethioamide
CID 126661898
1-(3-methyl-2-phenoxyphenyl)pyrrolidine
CID 168514130
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine
CID 168604045

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-phenoxyphenyl)ethanethioamide?
The IUPAC name of N-(3-methyl-2-phenoxyphenyl)ethanethioamide (CID 155056179) is N-(3-methyl-2-phenoxyphenyl)ethanethioamide.
What is the SMILES notation for N-(3-methyl-2-phenoxyphenyl)ethanethioamide?
The canonical SMILES for N-(3-methyl-2-phenoxyphenyl)ethanethioamide is CC(=S)Nc1cccc(C)c1Oc1ccccc1.
What is the InChIKey of N-(3-methyl-2-phenoxyphenyl)ethanethioamide?
The InChIKey is QBNODGXODZCKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-7-6-10-14(16-12(2)18)15(11)17-13-8-4-3-5-9-13/h3-10H,1-2H3,(H,16,18).
What are the key properties of N-(3-methyl-2-phenoxyphenyl)ethanethioamide?
N-(3-methyl-2-phenoxyphenyl)ethanethioamide has a molecular weight of 257.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-phenoxyphenyl)ethanethioamide is sourced from PubChem (CID 155056179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).