2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide

C11H14N2OS — CID 78912864

IUPAC2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
SMILESC#CCNCC(=O)NC(C)c1cccs1
InChIInChI=1S/C11H14N2OS/c1-3-6-12-8-11(14)13-9(2)10-5-4-7-15-10/h1,4-5,7,9,12H,6,8H2,2H3,(H,13,14)
InChIKeyLNXWEIOCHSLLRE-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.15
Rot. Bonds5

About 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide

2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 78912864) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID78912864
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
SMILESC#CCNCC(=O)NC(C)c1cccs1
InChIInChI=1S/C11H14N2OS/c1-3-6-12-8-11(14)13-9(2)10-5-4-7-15-10/h1,4-5,7,9,12H,6,8H2,2H3,(H,13,14)
InChIKeyLNXWEIOCHSLLRE-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.15
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-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
tert-butyl 4-oxo-4-(1-thiophen-2-ylethylamino)butanoate
CID 106707023
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
2-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 43237373
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8913554
(2S)-2-amino-3-methyl-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]butanamide
CID 82961932
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide (CID 78912864) is 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide is C#CCNCC(=O)NC(C)c1cccs1.
What is the InChIKey of 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is LNXWEIOCHSLLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-6-12-8-11(14)13-9(2)10-5-4-7-15-10/h1,4-5,7,9,12H,6,8H2,2H3,(H,13,14).
What are the key properties of 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide?
2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 222.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 78912864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).