N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide

C14H19NOS — CID 110784564

IUPACN-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
SMILESCCSc1ccc(CNC(=O)C2CCC2)cc1
InChIInChI=1S/C14H19NOS/c1-2-17-13-8-6-11(7-9-13)10-15-14(16)12-4-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,15,16)
InChIKeyJEZLPMRDBDKTJA-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.21
Rot. Bonds5

About N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide

N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide (PubChem CID 110784564) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
PubChem CID110784564
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
SMILESCCSc1ccc(CNC(=O)C2CCC2)cc1
InChIInChI=1S/C14H19NOS/c1-2-17-13-8-6-11(7-9-13)10-15-14(16)12-4-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,15,16)
InChIKeyJEZLPMRDBDKTJA-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 110794531
N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
CID 110784547
N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
CID 110790666
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-benzylcyclobutanecarboxamide
CID 730128
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
N-benzylcyclopentanecarboxamide
CID 835634
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
CID 51082846
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide
CID 110730554

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide (CID 110784564) is N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide is CCSc1ccc(CNC(=O)C2CCC2)cc1.
What is the InChIKey of N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide?
The InChIKey is JEZLPMRDBDKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-17-13-8-6-11(7-9-13)10-15-14(16)12-4-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,15,16).
What are the key properties of N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide?
N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide has a molecular weight of 249.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110784564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).