N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide

C18H28N2O3S — CID 120886452

IUPACN-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C18H28N2O3S/c19-12-14-20(13-10-16-6-2-1-3-7-16)18(21)11-15-24(22,23)17-8-4-5-9-17/h1-3,6-7,17H,4-5,8-15,19H2
InChIKeyHZXZUVFMCLBUOP-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.76
Rot. Bonds9

About N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide

N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide (PubChem CID 120886452) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide
PubChem CID120886452
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C18H28N2O3S/c19-12-14-20(13-10-16-6-2-1-3-7-16)18(21)11-15-24(22,23)17-8-4-5-9-17/h1-3,6-7,17H,4-5,8-15,19H2
InChIKeyHZXZUVFMCLBUOP-UHFFFAOYSA-N
XLogP1.76
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120886842
N-(2-aminoethyl)-3-(5-methyloxolan-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885197
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
N-(2-aminoethyl)-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 120885504
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide
CID 120886456

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide (CID 120886452) is N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide is NCCN(CCc1ccccc1)C(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide?
The InChIKey is HZXZUVFMCLBUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c19-12-14-20(13-10-16-6-2-1-3-7-16)18(21)11-15-24(22,23)17-8-4-5-9-17/h1-3,6-7,17H,4-5,8-15,19H2.
What are the key properties of N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide?
N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide has a molecular weight of 352.50 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120886452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).