2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride

C16H25ClN2OS — CID 119293416

IUPAC2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(SC2CCCC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-2-5-15(17)16(19)18-12-8-10-14(11-9-12)20-13-6-3-4-7-13;/h8-11,13,15H,2-7,17H2,1H3,(H,18,19);1H
InChIKeyDKJBTQHENQUROX-UHFFFAOYSA-N
MW328.91 g/mol
LogP4.21
Rot. Bonds6

About 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride

2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride (PubChem CID 119293416) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride
PubChem CID119293416
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(SC2CCCC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-2-5-15(17)16(19)18-12-8-10-14(11-9-12)20-13-6-3-4-7-13;/h8-11,13,15H,2-7,17H2,1H3,(H,18,19);1H
InChIKeyDKJBTQHENQUROX-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride
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N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
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(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
(2R)-2-amino-N-(4-bromophenyl)pentanamide
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(2R)-2-amino-N-(4-chlorophenyl)pentanamide
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2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
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2-amino-N-[4-(cyclopropylmethoxy)phenyl]pentanamide
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CID 119278079

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride (CID 119293416) is 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(SC2CCCC2)cc1.Cl.
What is the InChIKey of 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride?
The InChIKey is DKJBTQHENQUROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-2-5-15(17)16(19)18-12-8-10-14(11-9-12)20-13-6-3-4-7-13;/h8-11,13,15H,2-7,17H2,1H3,(H,18,19);1H.
What are the key properties of 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride?
2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 119293416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).