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

C13H18N2O2S — CID 91920118

IUPACN-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCCCC(=O)N1
InChIInChI=1S/C13H18N2O2S/c16-12-6-2-1-4-10(15-12)9-14-13(17)8-11-5-3-7-18-11/h3,5,7,10H,1-2,4,6,8-9H2,(H,14,17)(H,15,16)
InChIKeyDKNYUBYLEAPIBO-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.47
Rot. Bonds4

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

N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 91920118) 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-2-ylacetamide.

Molecular Properties

Compound NameN-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID91920118
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCCCC(=O)N1
InChIInChI=1S/C13H18N2O2S/c16-12-6-2-1-4-10(15-12)9-14-13(17)8-11-5-3-7-18-11/h3,5,7,10H,1-2,4,6,8-9H2,(H,14,17)(H,15,16)
InChIKeyDKNYUBYLEAPIBO-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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Related Compounds

Tenilsetam
CID 65649
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(thiophen-2-yl)ethyl]carbamate
CID 11716536
N-cycloheptyl-4-oxo-4-thiophen-2-ylbutanamide
CID 2364189
N-cyclopentyl-1-[(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3438532
(5Z,8Z,11Z,14Z)-N-(1-thiophen-2-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
CID 10928080
Icosa-5,8,11,14-tetraenoic acid (2-thiophen-2-yl-ethyl)-amide
CID 10949701
(S)-2-amino-N-(cyanomethyl)-3-(thiophen-2-yl)propanamide
CID 46883395
(S)-2-amino-N-((S)-1-cyano-2-methylpropyl)-3-(thiophen-2-yl)propanamide
CID 46883396
(S)-2-amino-N-(1-cyanocyclopropyl)-3-(thiophen-2-yl)propanamide
CID 46883466
N-cyclopentyl-2-(2-thienyl)acetamide
CID 669859
(S)-2-amino-N-(2-cyanopropan-2-yl)-3-(thiophen-2-yl)propanamide
CID 46883467
N-ethyl-1-(2-thiophen-2-ylacetyl)azepane-4-carboxamide
CID 49795307

Frequently Asked Questions

What is the IUPAC name of N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide (CID 91920118) is N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC1CCCCC(=O)N1.
What is the InChIKey of N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is DKNYUBYLEAPIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-12-6-2-1-4-10(15-12)9-14-13(17)8-11-5-3-7-18-11/h3,5,7,10H,1-2,4,6,8-9H2,(H,14,17)(H,15,16).
What are the key properties of N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(7-oxoazepan-2-yl)methyl]-2-thiophen-2-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-2-ylacetamide is sourced from PubChem (CID 91920118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).