3-(4-phenylmethoxyphenyl)butanethioamide

C17H19NOS — CID 83932935

IUPAC3-(4-phenylmethoxyphenyl)butanethioamide
SMILESCC(CC(N)=S)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-13(11-17(18)20)15-7-9-16(10-8-15)19-12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,18,20)
InChIKeyMHADLIDGHBATCX-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.05
Rot. Bonds6

About 3-(4-phenylmethoxyphenyl)butanethioamide

3-(4-phenylmethoxyphenyl)butanethioamide (PubChem CID 83932935) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)butanethioamide.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)butanethioamide
PubChem CID83932935
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name3-(4-phenylmethoxyphenyl)butanethioamide
SMILESCC(CC(N)=S)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-13(11-17(18)20)15-7-9-16(10-8-15)19-12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,18,20)
InChIKeyMHADLIDGHBATCX-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-phenylmethoxyphenyl)butanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-phenoxyphenyl)butanethioamide
CID 83938971
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol
CID 118954631
4-[(4-butan-2-ylphenoxy)methyl]benzenecarbothioamide
CID 107664941
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
(1S)-3-methyl-1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 171230798
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)butanethioamide?
The IUPAC name of 3-(4-phenylmethoxyphenyl)butanethioamide (CID 83932935) is 3-(4-phenylmethoxyphenyl)butanethioamide.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)butanethioamide?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)butanethioamide is CC(CC(N)=S)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)butanethioamide?
The InChIKey is MHADLIDGHBATCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13(11-17(18)20)15-7-9-16(10-8-15)19-12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,18,20).
What are the key properties of 3-(4-phenylmethoxyphenyl)butanethioamide?
3-(4-phenylmethoxyphenyl)butanethioamide has a molecular weight of 285.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)butanethioamide is sourced from PubChem (CID 83932935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).