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

C15H26ClN3O2S — CID 3078793

IUPACN-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride
SMILESCCN(CC)CCCN(C(C)=O)c1ccsc1NC(C)=O.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-5-17(6-2)9-7-10-18(13(4)20)14-8-11-21-15(14)16-12(3)19;/h8,11H,5-7,9-10H2,1-4H3,(H,16,19);1H
InChIKeyZXTZKFNWIMENQN-UHFFFAOYSA-N
MW347.91 g/mol
LogP3.21
Rot. Bonds8

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

N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride (PubChem CID 3078793) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride
PubChem CID3078793
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC NameN-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride
SMILESCCN(CC)CCCN(C(C)=O)c1ccsc1NC(C)=O.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-5-17(6-2)9-7-10-18(13(4)20)14-8-11-21-15(14)16-12(3)19;/h8,11H,5-7,9-10H2,1-4H3,(H,16,19);1H
InChIKeyZXTZKFNWIMENQN-UHFFFAOYSA-N
XLogP3.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride (CID 3078793) is N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride is CCN(CC)CCCN(C(C)=O)c1ccsc1NC(C)=O.Cl.
What is the InChIKey of N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The InChIKey is ZXTZKFNWIMENQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-5-17(6-2)9-7-10-18(13(4)20)14-8-11-21-15(14)16-12(3)19;/h8,11H,5-7,9-10H2,1-4H3,(H,16,19);1H.
What are the key properties of N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride?
N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl-[3-(diethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 3078793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).