N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide

C14H19NO2S — CID 4790551

IUPACN-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H19NO2S/c1-10(16)15-11-5-7-12(8-6-11)18-9-13(17)14(2,3)4/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyIERXQGPHKTWBTO-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.35
Rot. Bonds4

About N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide

N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide (PubChem CID 4790551) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide
PubChem CID4790551
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H19NO2S/c1-10(16)15-11-5-7-12(8-6-11)18-9-13(17)14(2,3)4/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyIERXQGPHKTWBTO-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide (CID 4790551) is N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide?
The InChIKey is IERXQGPHKTWBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(16)15-11-5-7-12(8-6-11)18-9-13(17)14(2,3)4/h5-8H,9H2,1-4H3,(H,15,16).
What are the key properties of N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide?
N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide has a molecular weight of 265.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethyl-2-oxobutyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 4790551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).