N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide

C13H18N2O2S — CID 91909424

IUPACN-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1CCCCC(=O)N1
InChIInChI=1S/C13H18N2O2S/c16-12-4-2-1-3-11(15-12)8-14-13(17)7-10-5-6-18-9-10/h5-6,9,11H,1-4,7-8H2,(H,14,17)(H,15,16)
InChIKeyAXSDBMCGWNNVQS-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.47
Rot. Bonds4

About N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide

N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 91909424) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide
PubChem CID91909424
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1CCCCC(=O)N1
InChIInChI=1S/C13H18N2O2S/c16-12-4-2-1-3-11(15-12)8-14-13(17)7-10-5-6-18-9-10/h5-6,9,11H,1-4,7-8H2,(H,14,17)(H,15,16)
InChIKeyAXSDBMCGWNNVQS-UHFFFAOYSA-N
XLogP1.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide (CID 91909424) is N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC1CCCCC(=O)N1.
What is the InChIKey of N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is AXSDBMCGWNNVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-12-4-2-1-3-11(15-12)8-14-13(17)7-10-5-6-18-9-10/h5-6,9,11H,1-4,7-8H2,(H,14,17)(H,15,16).
What are the key properties of N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide?
N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91909424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).