N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide

C17H26N2O2S — CID 112504779

IUPACN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCCCC1)C1CCCO1
InChIInChI=1S/C17H26N2O2S/c20-17(15-7-5-11-21-15)18-13-14(16-8-6-12-22-16)19-9-3-1-2-4-10-19/h6,8,12,14-15H,1-5,7,9-11,13H2,(H,18,20)
InChIKeyXVDNBJFEQUWOCE-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide (PubChem CID 112504779) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
PubChem CID112504779
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCCCC1)C1CCCO1
InChIInChI=1S/C17H26N2O2S/c20-17(15-7-5-11-21-15)18-13-14(16-8-6-12-22-16)19-9-3-1-2-4-10-19/h6,8,12,14-15H,1-5,7,9-11,13H2,(H,18,20)
InChIKeyXVDNBJFEQUWOCE-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39987122
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506807
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 100840537
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506848
(4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
CID 97078921
(4R)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
CID 97078923
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 112504693
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831481
1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 128925831
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide (CID 112504779) is N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide is O=C(NCC(c1cccs1)N1CCCCCC1)C1CCCO1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide?
The InChIKey is XVDNBJFEQUWOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-17(15-7-5-11-21-15)18-13-14(16-8-6-12-22-16)19-9-3-1-2-4-10-19/h6,8,12,14-15H,1-5,7,9-11,13H2,(H,18,20).
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide?
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 112504779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).