(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride

C16H25ClN2OS — CID 119309258

IUPAC(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-11-10-14(20-13-6-4-3-5-7-13)8-9-15(11)18-16(19)12(2)17;/h8-10,12-13H,3-7,17H2,1-2H3,(H,18,19);1H/t12-;/m1./s1
InChIKeyXSSXTRCPCHJKSQ-UTONKHPSSA-N
MW328.91 g/mol
LogP4.13
Rot. Bonds4

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

(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride (PubChem CID 119309258) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride
PubChem CID119309258
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-11-10-14(20-13-6-4-3-5-7-13)8-9-15(11)18-16(19)12(2)17;/h8-10,12-13H,3-7,17H2,1-2H3,(H,18,19);1H/t12-;/m1./s1
InChIKeyXSSXTRCPCHJKSQ-UTONKHPSSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561649
(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide
CID 52515319
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
1-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(3-hydroxypropyl)urea
CID 110911006
2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120628160
2-bromo-N-(4-cyclohexylsulfanyl-2-methylphenyl)-5-sulfamoylbenzamide
CID 60608333
N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 60608611
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
methyl 3-[[2-(4-cyclohexylsulfanyl-2-methylanilino)-2-oxoacetyl]amino]-1-methylpyrazole-5-carboxylate
CID 166330543
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride (CID 119309258) is (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride is Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride?
The InChIKey is XSSXTRCPCHJKSQ-UTONKHPSSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-11-10-14(20-13-6-4-3-5-7-13)8-9-15(11)18-16(19)12(2)17;/h8-10,12-13H,3-7,17H2,1-2H3,(H,18,19);1H/t12-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride?
(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119309258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).