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

C13H17IN2OS — CID 82686761

IUPACN-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide
SMILESO=C(CNC1CCCc2sc(I)cc21)NC1CC1
InChIInChI=1S/C13H17IN2OS/c14-12-6-9-10(2-1-3-11(9)18-12)15-7-13(17)16-8-4-5-8/h6,8,10,15H,1-5,7H2,(H,16,17)
InChIKeyUVGOQTVVVAXCJO-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.60
Rot. Bonds4

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

N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide (PubChem CID 82686761) has the molecular formula C13H17IN2OS and a molecular weight of 376.26 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide
PubChem CID82686761
Molecular FormulaC13H17IN2OS
Molecular Weight376.26 g/mol
Exact Mass376.01
IUPAC NameN-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide
SMILESO=C(CNC1CCCc2sc(I)cc21)NC1CC1
InChIInChI=1S/C13H17IN2OS/c14-12-6-9-10(2-1-3-11(9)18-12)15-7-13(17)16-8-4-5-8/h6,8,10,15H,1-5,7H2,(H,16,17)
InChIKeyUVGOQTVVVAXCJO-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide (CID 82686761) is N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide is O=C(CNC1CCCc2sc(I)cc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide?
The InChIKey is UVGOQTVVVAXCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2OS/c14-12-6-9-10(2-1-3-11(9)18-12)15-7-13(17)16-8-4-5-8/h6,8,10,15H,1-5,7H2,(H,16,17).
What are the key properties of N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide?
N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide has a molecular weight of 376.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide is sourced from PubChem (CID 82686761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).