2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide

C10H13ClN2OS — CID 82686236

IUPAC2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide
SMILESNC(=O)CNC1CCCc2sc(Cl)cc21
InChIInChI=1S/C10H13ClN2OS/c11-9-4-6-7(13-5-10(12)14)2-1-3-8(6)15-9/h4,7,13H,1-3,5H2,(H2,12,14)
InChIKeyKLKSJFADYYNDLQ-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.85
Rot. Bonds3

About 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide

2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide (PubChem CID 82686236) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide
PubChem CID82686236
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide
SMILESNC(=O)CNC1CCCc2sc(Cl)cc21
InChIInChI=1S/C10H13ClN2OS/c11-9-4-6-7(13-5-10(12)14)2-1-3-8(6)15-9/h4,7,13H,1-3,5H2,(H2,12,14)
InChIKeyKLKSJFADYYNDLQ-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide?
The IUPAC name of 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide (CID 82686236) is 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide?
The canonical SMILES for 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide is NC(=O)CNC1CCCc2sc(Cl)cc21.
What is the InChIKey of 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide?
The InChIKey is KLKSJFADYYNDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-9-4-6-7(13-5-10(12)14)2-1-3-8(6)15-9/h4,7,13H,1-3,5H2,(H2,12,14).
What are the key properties of 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide?
2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide has a molecular weight of 244.75 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide is sourced from PubChem (CID 82686236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).