N-cyclobutyl-2-(4-sulfanylphenyl)acetamide

C12H15NOS — CID 107028316

IUPACN-cyclobutyl-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NC1CCC1
InChIInChI=1S/C12H15NOS/c14-12(13-10-2-1-3-10)8-9-4-6-11(15)7-5-9/h4-7,10,15H,1-3,8H2,(H,13,14)
InChIKeyRGMAUCCDKGOSFA-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.19
Rot. Bonds3

About N-cyclobutyl-2-(4-sulfanylphenyl)acetamide

N-cyclobutyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107028316) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclobutyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107028316
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-cyclobutyl-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NC1CCC1
InChIInChI=1S/C12H15NOS/c14-12(13-10-2-1-3-10)8-9-4-6-11(15)7-5-9/h4-7,10,15H,1-3,8H2,(H,13,14)
InChIKeyRGMAUCCDKGOSFA-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.19
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-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107021542
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
N-(3,5-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030984
N-cyclohexyl-2-(4-formylphenyl)acetamide
CID 142533026
N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030998
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-cyclopentyl-4-sulfanylbenzamide
CID 71194494
N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107421052
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107029703

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-cyclobutyl-2-(4-sulfanylphenyl)acetamide (CID 107028316) is N-cyclobutyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-cyclobutyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-cyclobutyl-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is RGMAUCCDKGOSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c14-12(13-10-2-1-3-10)8-9-4-6-11(15)7-5-9/h4-7,10,15H,1-3,8H2,(H,13,14).
What are the key properties of N-cyclobutyl-2-(4-sulfanylphenyl)acetamide?
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 221.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107028316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).