N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide

C16H24N2O2S — CID 63119525

IUPACN-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide
SMILESNc1ccc(NC(=O)CCCS(=O)CC2CCCC2)cc1
InChIInChI=1S/C16H24N2O2S/c17-14-7-9-15(10-8-14)18-16(19)6-3-11-21(20)12-13-4-1-2-5-13/h7-10,13H,1-6,11-12,17H2,(H,18,19)
InChIKeyLLKXEDZUTFDLSD-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.93
Rot. Bonds7

About N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide

N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide (PubChem CID 63119525) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide
PubChem CID63119525
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide
SMILESNc1ccc(NC(=O)CCCS(=O)CC2CCCC2)cc1
InChIInChI=1S/C16H24N2O2S/c17-14-7-9-15(10-8-14)18-16(19)6-3-11-21(20)12-13-4-1-2-5-13/h7-10,13H,1-6,11-12,17H2,(H,18,19)
InChIKeyLLKXEDZUTFDLSD-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-pentylsulfinylbutanamide
CID 107753588
N-(3-amino-4-fluorophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 63119671
N-(4-aminophenyl)-4-methylsulfinylbutanamide
CID 61288283
N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200083
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide
CID 62383127
1-(4-bromophenyl)-4-(cyclopentylmethylsulfinyl)butan-1-one
CID 64641194
N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 64699381
N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide
CID 81334230
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide?
The IUPAC name of N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide (CID 63119525) is N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide is Nc1ccc(NC(=O)CCCS(=O)CC2CCCC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide?
The InChIKey is LLKXEDZUTFDLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c17-14-7-9-15(10-8-14)18-16(19)6-3-11-21(20)12-13-4-1-2-5-13/h7-10,13H,1-6,11-12,17H2,(H,18,19).
What are the key properties of N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide?
N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide has a molecular weight of 308.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide is sourced from PubChem (CID 63119525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).