N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide

C15H21NOS2 — CID 47327417

IUPACN-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C15H21NOS2/c1-11(18-2)15(17)16-13-9-5-6-10-14(13)19-12-7-3-4-8-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyYCYCRYWQBUGWEX-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.41
Rot. Bonds5

About N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide

N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide (PubChem CID 47327417) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
PubChem CID47327417
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C15H21NOS2/c1-11(18-2)15(17)16-13-9-5-6-10-14(13)19-12-7-3-4-8-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyYCYCRYWQBUGWEX-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide
CID 43696805
5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide
CID 104683759
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide
CID 81083432
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide
CID 65225963
1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide
CID 60867038
N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835848
N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide
CID 60841702
2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid
CID 61454901

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide (CID 47327417) is N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide?
The InChIKey is YCYCRYWQBUGWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-11(18-2)15(17)16-13-9-5-6-10-14(13)19-12-7-3-4-8-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide?
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide has a molecular weight of 295.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 47327417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).