N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide

C15H23NOS — CID 110771379

IUPACN-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc(SC(C)C)cc1
InChIInChI=1S/C15H23NOS/c1-11(2)10-16-15(17)9-13-5-7-14(8-6-13)18-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeySXGWLHORKDKAFM-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.50
Rot. Bonds6

About N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 110771379) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID110771379
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc(SC(C)C)cc1
InChIInChI=1S/C15H23NOS/c1-11(2)10-16-15(17)9-13-5-7-14(8-6-13)18-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeySXGWLHORKDKAFM-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90598039
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771391
N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 95368026
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 99876911
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 99981215
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 63808063
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90490816

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 110771379) is N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)CNC(=O)Cc1ccc(SC(C)C)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is SXGWLHORKDKAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)10-16-15(17)9-13-5-7-14(8-6-13)18-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 265.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 110771379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).