4-(2-sulfanylpropoxy)benzamide

C10H13NO2S — CID 137429548

IUPAC4-(2-sulfanylpropoxy)benzamide
SMILESCC(S)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H13NO2S/c1-7(14)6-13-9-4-2-8(3-5-9)10(11)12/h2-5,7,14H,6H2,1H3,(H2,11,12)
InChIKeyRTWDYYNZHBJLIS-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.48
Rot. Bonds4

About 4-(2-sulfanylpropoxy)benzamide

4-(2-sulfanylpropoxy)benzamide (PubChem CID 137429548) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-(2-sulfanylpropoxy)benzamide.

Molecular Properties

Compound Name4-(2-sulfanylpropoxy)benzamide
PubChem CID137429548
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-(2-sulfanylpropoxy)benzamide
SMILESCC(S)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C10H13NO2S/c1-7(14)6-13-9-4-2-8(3-5-9)10(11)12/h2-5,7,14H,6H2,1H3,(H2,11,12)
InChIKeyRTWDYYNZHBJLIS-UHFFFAOYSA-N
XLogP1.48
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(bromomethyl)-3-methylbutoxy]benzamide
CID 65011599
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[2-(bromomethyl)pentoxy]benzamide
CID 65011499
1-[4-[4-(2-sulfanylpropoxy)phenyl]sulfonylphenoxy]propane-2-thiol
CID 91501978
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 8566212
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
4-(2-oxoethoxy)benzamide
CID 54336602
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040
4-[4-(6-methylheptoxy)phenyl]benzamide
CID 58276365

Frequently Asked Questions

What is the IUPAC name of 4-(2-sulfanylpropoxy)benzamide?
The IUPAC name of 4-(2-sulfanylpropoxy)benzamide (CID 137429548) is 4-(2-sulfanylpropoxy)benzamide.
What is the SMILES notation for 4-(2-sulfanylpropoxy)benzamide?
The canonical SMILES for 4-(2-sulfanylpropoxy)benzamide is CC(S)COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-sulfanylpropoxy)benzamide?
The InChIKey is RTWDYYNZHBJLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(14)6-13-9-4-2-8(3-5-9)10(11)12/h2-5,7,14H,6H2,1H3,(H2,11,12).
What are the key properties of 4-(2-sulfanylpropoxy)benzamide?
4-(2-sulfanylpropoxy)benzamide has a molecular weight of 211.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfanylpropoxy)benzamide is sourced from PubChem (CID 137429548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).