N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide

C12H16N2OS — CID 103825949

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCc1ccc(CC)s1
InChIInChI=1S/C12H16N2OS/c1-3-7-13-9-12(15)14-8-11-6-5-10(4-2)16-11/h1,5-6,13H,4,7-9H2,2H3,(H,14,15)
InChIKeyVKVYISFTUGOJKQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.15
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide

N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 103825949) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
PubChem CID103825949
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCc1ccc(CC)s1
InChIInChI=1S/C12H16N2OS/c1-3-7-13-9-12(15)14-8-11-6-5-10(4-2)16-11/h1,5-6,13H,4,7-9H2,2H3,(H,14,15)
InChIKeyVKVYISFTUGOJKQ-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
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

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
N1,N2-Bis(thiophen-2-ylmethyl)oxalamide
CID 6421749
Icosa-5,8,11,14-tetraenoic acid (thiophen-2-ylmethyl)-amide
CID 10272277
2-amino-N-[2-[2-[5-(4-aminobutyl)thiophen-2-yl]ethylamino]-2-oxoethyl]acetamide
CID 16126183
tridecyl-Gly-N(BuNH2)Gly-N(thien-2-ylmethyl)Gly-NH2
CID 145990085
Acetamide, N-(1-cyano-1-(2-thienyl)ethyl)-
CID 205326
N-[(thiophen-2-yl)methyl]butanamide
CID 4117885
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]butanamide
CID 3240734
N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
CID 20866351
N~2~-[(2,5-dimethyl-3-thienyl)methyl]-L-alaninamide
CID 39834683
2-[acetyl(methyl)amino]-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 53527495
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 53531331

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide (CID 103825949) is N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCc1ccc(CC)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is VKVYISFTUGOJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-7-13-9-12(15)14-8-11-6-5-10(4-2)16-11/h1,5-6,13H,4,7-9H2,2H3,(H,14,15).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 236.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 103825949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).