N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide

C14H19NOS — CID 34483284

IUPACN-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
SMILESCSc1ccc([C@@H](C)NC(=O)C2CCC2)cc1
InChIInChI=1S/C14H19NOS/c1-10(15-14(16)12-4-3-5-12)11-6-8-13(17-2)9-7-11/h6-10,12H,3-5H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyCTJXTFZLTDIILB-SNVBAGLBSA-N
MW249.38 g/mol
LogP3.39
Rot. Bonds4

About N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide

N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide (PubChem CID 34483284) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
PubChem CID34483284
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
SMILESCSc1ccc([C@@H](C)NC(=O)C2CCC2)cc1
InChIInChI=1S/C14H19NOS/c1-10(15-14(16)12-4-3-5-12)11-6-8-13(17-2)9-7-11/h6-10,12H,3-5H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyCTJXTFZLTDIILB-SNVBAGLBSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94609410
(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 38920001
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 79388581
N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 99131688
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
CID 46461137
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide (CID 34483284) is N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide is CSc1ccc([C@@H](C)NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is CTJXTFZLTDIILB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10(15-14(16)12-4-3-5-12)11-6-8-13(17-2)9-7-11/h6-10,12H,3-5H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide?
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 249.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 34483284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).