N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride

C9H14Cl2N2OS — CID 119735855

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCc1ccc(Cl)s1.Cl
InChIInChI=1S/C9H13ClN2OS.ClH/c1-11-6-9(13)12-5-4-7-2-3-8(10)14-7;/h2-3,11H,4-6H2,1H3,(H,12,13);1H
InChIKeyBMAPNCOGQIAGIN-UHFFFAOYSA-N
MW269.20 g/mol
LogP1.70
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119735855) has the molecular formula C9H14Cl2N2OS and a molecular weight of 269.20 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119735855
Molecular FormulaC9H14Cl2N2OS
Molecular Weight269.20 g/mol
Exact Mass268.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCc1ccc(Cl)s1.Cl
InChIInChI=1S/C9H13ClN2OS.ClH/c1-11-6-9(13)12-5-4-7-2-3-8(10)14-7;/h2-3,11H,4-6H2,1H3,(H,12,13);1H
InChIKeyBMAPNCOGQIAGIN-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 106039693
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 114140578
(3E)-3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyiminopropanamide
CID 106041277
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride (CID 119735855) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCCc1ccc(Cl)s1.Cl.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is BMAPNCOGQIAGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS.ClH/c1-11-6-9(13)12-5-4-7-2-3-8(10)14-7;/h2-3,11H,4-6H2,1H3,(H,12,13);1H.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 269.20 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119735855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).