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

C14H24ClN3O2S — CID 3078791

IUPACN-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride
SMILESCCN(CC)CCN(C(C)=O)c1ccsc1NC(C)=O.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-5-16(6-2)8-9-17(12(4)19)13-7-10-20-14(13)15-11(3)18;/h7,10H,5-6,8-9H2,1-4H3,(H,15,18);1H
InChIKeyOFTZMSMWHMYFSJ-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.82
Rot. Bonds7

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

N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride (PubChem CID 3078791) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride
PubChem CID3078791
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC NameN-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride
SMILESCCN(CC)CCN(C(C)=O)c1ccsc1NC(C)=O.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-5-16(6-2)8-9-17(12(4)19)13-7-10-20-14(13)15-11(3)18;/h7,10H,5-6,8-9H2,1-4H3,(H,15,18);1H
InChIKeyOFTZMSMWHMYFSJ-UHFFFAOYSA-N
XLogP2.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 52.82
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-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride (CID 3078791) is N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride is CCN(CC)CCN(C(C)=O)c1ccsc1NC(C)=O.Cl.
What is the InChIKey of N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The InChIKey is OFTZMSMWHMYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-5-16(6-2)8-9-17(12(4)19)13-7-10-20-14(13)15-11(3)18;/h7,10H,5-6,8-9H2,1-4H3,(H,15,18);1H.
What are the key properties of N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride?
N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 3078791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).