N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide

C15H22N2OS — CID 55096699

IUPACN-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C15H22N2OS/c1-11(16-2)15(18)17-13-9-5-6-10-14(13)19-12-7-3-4-8-12/h5-6,9-12,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyMFVGLSRMFJBTHK-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.27
Rot. Bonds5

About N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide

N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide (PubChem CID 55096699) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
PubChem CID55096699
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C15H22N2OS/c1-11(16-2)15(18)17-13-9-5-6-10-14(13)19-12-7-3-4-8-12/h5-6,9-12,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyMFVGLSRMFJBTHK-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
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)-2-methyl-2-(methylamino)propanamide
CID 62835848
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide
CID 81083432
2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide
CID 65225963
N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide
CID 60841702
2-[(2-cyclopentylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941402
1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide
CID 60867038
N-(2-cyclopentylsulfanylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62832690

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide (CID 55096699) is N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide?
The InChIKey is MFVGLSRMFJBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(16-2)15(18)17-13-9-5-6-10-14(13)19-12-7-3-4-8-12/h5-6,9-12,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide?
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide has a molecular weight of 278.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 55096699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).