4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride

C18H29ClN2OS — CID 120561649

IUPAC4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-13-12-16(22-15-6-4-3-5-7-15)9-10-17(13)20-18(21)11-8-14(2)19;/h9-10,12,14-15H,3-8,11,19H2,1-2H3,(H,20,21);1H
InChIKeyJJAAOUHKACCXGR-UHFFFAOYSA-N
MW356.96 g/mol
LogP4.91
Rot. Bonds6

About 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride

4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride (PubChem CID 120561649) has the molecular formula C18H29ClN2OS and a molecular weight of 356.96 g/mol. Its IUPAC name is 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
PubChem CID120561649
Molecular FormulaC18H29ClN2OS
Molecular Weight356.96 g/mol
Exact Mass356.17
IUPAC Name4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-13-12-16(22-15-6-4-3-5-7-15)9-10-17(13)20-18(21)11-8-14(2)19;/h9-10,12,14-15H,3-8,11,19H2,1-2H3,(H,20,21);1H
InChIKeyJJAAOUHKACCXGR-UHFFFAOYSA-N
XLogP4.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride
CID 119309258
4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561921
(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide
CID 52515319
1-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(3-hydroxypropyl)urea
CID 110911006
4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
CID 120561971
2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120628160
2-(4-cyano-2-methoxyphenoxy)-N-(4-cyclohexylsulfanyl-2-methylphenyl)acetamide
CID 60608438
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
CID 120560339
2-bromo-N-(4-cyclohexylsulfanyl-2-methylphenyl)-5-sulfamoylbenzamide
CID 60608333
N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 60608611
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride (CID 120561649) is 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride is Cc1cc(SC2CCCCC2)ccc1NC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride?
The InChIKey is JJAAOUHKACCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS.ClH/c1-13-12-16(22-15-6-4-3-5-7-15)9-10-17(13)20-18(21)11-8-14(2)19;/h9-10,12,14-15H,3-8,11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride?
4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride has a molecular weight of 356.96 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 120561649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).