N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride

C12H20ClN3O2S — CID 3078787

IUPACN-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1sccc1N(CCN(C)C)C(C)=O.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-9(16)13-12-11(5-8-18-12)15(10(2)17)7-6-14(3)4;/h5,8H,6-7H2,1-4H3,(H,13,16);1H
InChIKeyQNDRHERDCRTMHS-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.04
Rot. Bonds5

About N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride

N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride (PubChem CID 3078787) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride
PubChem CID3078787
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC NameN-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1sccc1N(CCN(C)C)C(C)=O.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-9(16)13-12-11(5-8-18-12)15(10(2)17)7-6-14(3)4;/h5,8H,6-7H2,1-4H3,(H,13,16);1H
InChIKeyQNDRHERDCRTMHS-UHFFFAOYSA-N
XLogP2.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride (CID 3078787) is N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride is CC(=O)Nc1sccc1N(CCN(C)C)C(C)=O.Cl.
What is the InChIKey of N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The InChIKey is QNDRHERDCRTMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c1-9(16)13-12-11(5-8-18-12)15(10(2)17)7-6-14(3)4;/h5,8H,6-7H2,1-4H3,(H,13,16);1H.
What are the key properties of N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride?
N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 3078787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).