N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide

C14H19NOS — CID 94624117

IUPACN-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCC1
InChIInChI=1S/C14H19NOS/c1-2-17-13-10-6-5-9-12(13)15-14(16)11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyQIGVMWAIUMKANX-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.93
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide

N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide (PubChem CID 94624117) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
PubChem CID94624117
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCC1
InChIInChI=1S/C14H19NOS/c1-2-17-13-10-6-5-9-12(13)15-14(16)11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyQIGVMWAIUMKANX-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
CID 131889204
2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 64823573
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136
1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 131888945
1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 99951546
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-[(2-chlorophenyl)methyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 46776827
(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 93487559
2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide
CID 82239236
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide (CID 94624117) is N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide is CCSc1ccccc1NC(=O)C1CCCC1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide?
The InChIKey is QIGVMWAIUMKANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-17-13-10-6-5-9-12(13)15-14(16)11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide?
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide has a molecular weight of 249.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 94624117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).