2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide

C14H18N2OS — CID 114187562

IUPAC2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
SMILESC#CCSCCNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-3-10-18-11-9-16-13(17)14(2,15)12-7-5-4-6-8-12/h1,4-8H,9-11,15H2,2H3,(H,16,17)
InChIKeyVBVMNZOHCQWZFT-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.34
Rot. Bonds6

About 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide

2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide (PubChem CID 114187562) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
PubChem CID114187562
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
SMILESC#CCSCCNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-3-10-18-11-9-16-13(17)14(2,15)12-7-5-4-6-8-12/h1,4-8H,9-11,15H2,2H3,(H,16,17)
InChIKeyVBVMNZOHCQWZFT-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide
CID 120587289
2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427791
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
CID 55078632
4-(2-prop-2-ynylsulfanylethylcarbamoyl)benzoic acid
CID 114188190
2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103950289
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
2-amino-N-[2-[ethyl(propyl)amino]ethyl]-2-phenylpropanamide;dihydrochloride
CID 120597323
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide
CID 120593686

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide?
The IUPAC name of 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide (CID 114187562) is 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide.
What is the SMILES notation for 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide?
The canonical SMILES for 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide is C#CCSCCNC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide?
The InChIKey is VBVMNZOHCQWZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-10-18-11-9-16-13(17)14(2,15)12-7-5-4-6-8-12/h1,4-8H,9-11,15H2,2H3,(H,16,17).
What are the key properties of 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide?
2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide has a molecular weight of 262.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide is sourced from PubChem (CID 114187562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).