2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide

C18H22N2OS — CID 120587289

IUPAC2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide
SMILESCc1ccc(SCCNC(=O)C(C)(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-14-8-10-16(11-9-14)22-13-12-20-17(21)18(2,19)15-6-4-3-5-7-15/h3-11H,12-13,19H2,1-2H3,(H,20,21)
InChIKeyFXYXSTMTHASEIV-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.08
Rot. Bonds6

About 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide

2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide (PubChem CID 120587289) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide
PubChem CID120587289
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide
SMILESCc1ccc(SCCNC(=O)C(C)(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2OS/c1-14-8-10-16(11-9-14)22-13-12-20-17(21)18(2,19)15-6-4-3-5-7-15/h3-11H,12-13,19H2,1-2H3,(H,20,21)
InChIKeyFXYXSTMTHASEIV-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 71411756
2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
CID 120588992
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 7630193
2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide
CID 116694611
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide
CID 24583699
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
CID 55078632
1-[[2-(4-methylphenyl)sulfanylacetyl]amino]-3-(2-phenylsulfanylethyl)thiourea
CID 9095240

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide (CID 120587289) is 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide is Cc1ccc(SCCNC(=O)C(C)(N)c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide?
The InChIKey is FXYXSTMTHASEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-8-10-16(11-9-14)22-13-12-20-17(21)18(2,19)15-6-4-3-5-7-15/h3-11H,12-13,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide?
2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide has a molecular weight of 314.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide is sourced from PubChem (CID 120587289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).