N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide

C12H18N2OS — CID 62841242

IUPACN-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
SMILESCCNC(=O)CNC1CCCc2sccc21
InChIInChI=1S/C12H18N2OS/c1-2-13-12(15)8-14-10-4-3-5-11-9(10)6-7-16-11/h6-7,10,14H,2-5,8H2,1H3,(H,13,15)
InChIKeyIXTPWPGDZOQWJQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.85
Rot. Bonds4

About N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide

N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide (PubChem CID 62841242) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
PubChem CID62841242
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
SMILESCCNC(=O)CNC1CCCc2sccc21
InChIInChI=1S/C12H18N2OS/c1-2-13-12(15)8-14-10-4-3-5-11-9(10)6-7-16-11/h6-7,10,14H,2-5,8H2,1H3,(H,13,15)
InChIKeyIXTPWPGDZOQWJQ-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide?
The IUPAC name of N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide (CID 62841242) is N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide.
What is the SMILES notation for N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide?
The canonical SMILES for N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide is CCNC(=O)CNC1CCCc2sccc21.
What is the InChIKey of N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide?
The InChIKey is IXTPWPGDZOQWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-13-12(15)8-14-10-4-3-5-11-9(10)6-7-16-11/h6-7,10,14H,2-5,8H2,1H3,(H,13,15).
What are the key properties of N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide?
N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide has a molecular weight of 238.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide is sourced from PubChem (CID 62841242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).