N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide

C13H16N2OS — CID 106428792

IUPACN-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
SMILESC#CCSCCNCC(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2OS/c1-2-9-17-10-8-14-11-13(16)15-12-6-4-3-5-7-12/h1,3-7,14H,8-11H2,(H,15,16)
InChIKeyZIWKEJGFRZZZSX-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.58
Rot. Bonds7

About N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide

N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide (PubChem CID 106428792) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
PubChem CID106428792
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
SMILESC#CCSCCNCC(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2OS/c1-2-9-17-10-8-14-11-13(16)15-12-6-4-3-5-7-12/h1,3-7,14H,8-11H2,(H,15,16)
InChIKeyZIWKEJGFRZZZSX-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.58
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

N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428862
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583
N-pentan-3-yl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428897
5-[(2-anilino-2-oxoethyl)amino]pentanamide
CID 106237405
2-(2-methylsulfonylethylamino)-N-phenylacetamide
CID 54935124
2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 114187562
3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
CID 115586548
4-anilino-2,2-dihydroxy-4-oxobutanoic acid
CID 141316230
3-[(2-prop-2-ynylsulfanylethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 106429965
[(2-anilino-2-oxoethyl)amino]methylphosphonic acid
CID 68512701
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
N-(4-bromophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
CID 114187612

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
The IUPAC name of N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide (CID 106428792) is N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide.
What is the SMILES notation for N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
The canonical SMILES for N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide is C#CCSCCNCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
The InChIKey is ZIWKEJGFRZZZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-9-17-10-8-14-11-13(16)15-12-6-4-3-5-7-12/h1,3-7,14H,8-11H2,(H,15,16).
What are the key properties of N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide has a molecular weight of 248.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(2-prop-2-ynylsulfanylethylamino)acetamide is sourced from PubChem (CID 106428792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).