2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide

C12H15ClN2OS — CID 27072038

IUPAC2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2OS/c1-3-7-14-12(16)9-15(4-2)8-10-5-6-11(13)17-10/h1,5-6H,4,7-9H2,2H3,(H,14,16)
InChIKeySFDSWVMMFTYWPO-UHFFFAOYSA-N
MW270.78 g/mol
LogP1.97
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide (PubChem CID 27072038) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
PubChem CID27072038
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2OS/c1-3-7-14-12(16)9-15(4-2)8-10-5-6-11(13)17-10/h1,5-6H,4,7-9H2,2H3,(H,14,16)
InChIKeySFDSWVMMFTYWPO-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26625829
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26517660
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 86908502
2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018489
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 112796459
N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 55432428
4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 9298098
2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide
CID 60686063
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate
CID 9331463
5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
CID 143722959
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide
CID 34704743

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide (CID 27072038) is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(CC)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide?
The InChIKey is SFDSWVMMFTYWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-3-7-14-12(16)9-15(4-2)8-10-5-6-11(13)17-10/h1,5-6H,4,7-9H2,2H3,(H,14,16).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide?
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide has a molecular weight of 270.78 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 27072038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).