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

C14H23N3O2S — CID 3078792

IUPACN-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide
SMILESCCN(CC)CCN(C(C)=O)c1ccsc1NC(C)=O
InChIInChI=1S/C14H23N3O2S/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)
InChIKeyWPZPLZOGQIOZOS-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.40
Rot. Bonds7

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

N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide (PubChem CID 3078792) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide
PubChem CID3078792
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide
SMILESCCN(CC)CCN(C(C)=O)c1ccsc1NC(C)=O
InChIInChI=1S/C14H23N3O2S/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)
InChIKeyWPZPLZOGQIOZOS-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.40
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?
The IUPAC name of N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide (CID 3078792) is N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide is CCN(CC)CCN(C(C)=O)c1ccsc1NC(C)=O.
What is the InChIKey of N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide?
The InChIKey is WPZPLZOGQIOZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/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).
What are the key properties of N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide?
N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 2.40, 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 is sourced from PubChem (CID 3078792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).