3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide

C14H20N2OS — CID 43710113

IUPAC3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
SMILESNCCC(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H20N2OS/c15-10-9-14(17)16-11-5-7-13(8-6-11)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10,15H2,(H,16,17)
InChIKeyNLWFIGPOUBVRDB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.01
Rot. Bonds5

About 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide

3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide (PubChem CID 43710113) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
PubChem CID43710113
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
SMILESNCCC(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H20N2OS/c15-10-9-14(17)16-11-5-7-13(8-6-11)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10,15H2,(H,16,17)
InChIKeyNLWFIGPOUBVRDB-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 46423104
2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 120623308
2-(4-cyclopentylsulfanylanilino)acetamide
CID 96676524
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethoxy]benzamide
CID 55910430
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
CID 112840313
2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride
CID 119293416
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide?
The IUPAC name of 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide (CID 43710113) is 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide?
The canonical SMILES for 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide is NCCC(=O)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide?
The InChIKey is NLWFIGPOUBVRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-10-9-14(17)16-11-5-7-13(8-6-11)18-12-3-1-2-4-12/h5-8,12H,1-4,9-10,15H2,(H,16,17).
What are the key properties of 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide?
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide has a molecular weight of 264.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide is sourced from PubChem (CID 43710113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).