N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H25NOS — CID 100706753

IUPACN-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCSC1CCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H25NOS/c20-18(19-11-12-21-17-7-3-4-8-17)16-10-9-14-5-1-2-6-15(14)13-16/h9-10,13,17H,1-8,11-12H2,(H,19,20)
InChIKeyKOUCTYJOQBDPEV-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.97
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 100706753) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID100706753
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCSC1CCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H25NOS/c20-18(19-11-12-21-17-7-3-4-8-17)16-10-9-14-5-1-2-6-15(14)13-16/h9-10,13,17H,1-8,11-12H2,(H,19,20)
InChIKeyKOUCTYJOQBDPEV-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide
CID 100669575
N-(2-cyclopentylsulfanylethyl)-4-methyl-3-methylsulfonylbenzamide
CID 47047129
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9482902
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
N-(2-cyclohexylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92676402
N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide
CID 94101566
N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3920439
N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
CID 100660183
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 100706753) is N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCCSC1CCCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KOUCTYJOQBDPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c20-18(19-11-12-21-17-7-3-4-8-17)16-10-9-14-5-1-2-6-15(14)13-16/h9-10,13,17H,1-8,11-12H2,(H,19,20).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 303.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 100706753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).