3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide

C15H23NOS — CID 83935239

IUPAC3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide
SMILESCCOc1ccc(CC(C)C(N)=S)cc1C(C)C
InChIInChI=1S/C15H23NOS/c1-5-17-14-7-6-12(8-11(4)15(16)18)9-13(14)10(2)3/h6-7,9-11H,5,8H2,1-4H3,(H2,16,18)
InChIKeyFFHRDPXVCJULMY-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.67
Rot. Bonds6

About 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide

3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide (PubChem CID 83935239) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide
PubChem CID83935239
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide
SMILESCCOc1ccc(CC(C)C(N)=S)cc1C(C)C
InChIInChI=1S/C15H23NOS/c1-5-17-14-7-6-12(8-11(4)15(16)18)9-13(14)10(2)3/h6-7,9-11H,5,8H2,1-4H3,(H2,16,18)
InChIKeyFFHRDPXVCJULMY-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.67
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

3-(5-chloro-2-ethoxyphenyl)-2-methylpropanethioamide
CID 83933269
3-(2-ethoxy-5-methylphenyl)-2-methylpropanethioamide
CID 83933660
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropane-1-thiol
CID 83935189
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
1-(4-ethoxy-3-propan-2-ylphenyl)hexane-3,4-diol
CID 83935305
1-(3-propan-2-yl-4-propoxyphenyl)butan-2-amine
CID 170890539
1-amino-1-[1-(3,4-diethoxyphenyl)propan-2-yl]urea
CID 118285034
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83935223
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide?
The IUPAC name of 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide (CID 83935239) is 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide.
What is the SMILES notation for 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide?
The canonical SMILES for 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide is CCOc1ccc(CC(C)C(N)=S)cc1C(C)C.
What is the InChIKey of 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide?
The InChIKey is FFHRDPXVCJULMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-5-17-14-7-6-12(8-11(4)15(16)18)9-13(14)10(2)3/h6-7,9-11H,5,8H2,1-4H3,(H2,16,18).
What are the key properties of 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide?
3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide has a molecular weight of 265.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropanethioamide is sourced from PubChem (CID 83935239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).