2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide

C10H14N2OS — CID 79279865

IUPAC2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
SMILESC=CCNCC(=O)NCc1ccsc1
InChIInChI=1S/C10H14N2OS/c1-2-4-11-7-10(13)12-6-9-3-5-14-8-9/h2-3,5,8,11H,1,4,6-7H2,(H,12,13)
InChIKeyQWOGLPQGFLEYOX-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.14
Rot. Bonds6

About 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide

2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 79279865) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID79279865
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
SMILESC=CCNCC(=O)NCc1ccsc1
InChIInChI=1S/C10H14N2OS/c1-2-4-11-7-10(13)12-6-9-3-5-14-8-9/h2-3,5,8,11H,1,4,6-7H2,(H,12,13)
InChIKeyQWOGLPQGFLEYOX-UHFFFAOYSA-N
XLogP1.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285936
N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 79278997
2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 78912271
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
7-amino-N-(thiophen-3-ylmethyl)heptanamide
CID 63246456
N-phenyl-2-(thiophen-3-ylmethylamino)acetamide
CID 47271664
N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide
CID 60976742
2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896069
3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
CID 63246869
2-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 59609658
N-prop-2-enyl-3-(2-thiophen-3-ylethyl)benzamide
CID 91610141

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide (CID 79279865) is 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide is C=CCNCC(=O)NCc1ccsc1.
What is the InChIKey of 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is QWOGLPQGFLEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-4-11-7-10(13)12-6-9-3-5-14-8-9/h2-3,5,8,11H,1,4,6-7H2,(H,12,13).
What are the key properties of 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide?
2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 210.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 79279865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).