N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide

C15H23NOS — CID 107031119

IUPACN-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide
SMILESCCC(CC)(CC)NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H23NOS/c1-4-15(5-2,6-3)16-14(17)11-12-7-9-13(18)10-8-12/h7-10,18H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyVJZYMOKMGXCFDJ-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.60
Rot. Bonds6

About N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide

N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107031119) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107031119
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide
SMILESCCC(CC)(CC)NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H23NOS/c1-4-15(5-2,6-3)16-14(17)11-12-7-9-13(18)10-8-12/h7-10,18H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyVJZYMOKMGXCFDJ-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide
CID 114304696
2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62520281
N-[3-(chloromethyl)pentan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114304583
N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119571100
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
CID 114152519
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide
CID 107028010
N-(1-amino-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114152459
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide
CID 107867586
2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62517073

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide (CID 107031119) is N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide is CCC(CC)(CC)NC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is VJZYMOKMGXCFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-15(5-2,6-3)16-14(17)11-12-7-9-13(18)10-8-12/h7-10,18H,4-6,11H2,1-3H3,(H,16,17).
What are the key properties of N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide?
N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 265.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107031119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).