(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide

C15H24N2O2S — CID 92503190

IUPAC(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCOCCCNC(=O)N1CCCCC[C@@H]1c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-19-11-6-9-16-15(18)17-10-4-2-3-7-13(17)14-8-5-12-20-14/h5,8,12-13H,2-4,6-7,9-11H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyIPUPORJUPCZWBA-CYBMUJFWSA-N
MW296.44 g/mol
LogP3.41
Rot. Bonds5

About (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide

(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide (PubChem CID 92503190) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
PubChem CID92503190
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCOCCCNC(=O)N1CCCCC[C@@H]1c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-19-11-6-9-16-15(18)17-10-4-2-3-7-13(17)14-8-5-12-20-14/h5,8,12-13H,2-4,6-7,9-11H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyIPUPORJUPCZWBA-CYBMUJFWSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012952
(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 22586941
(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 51551008
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94031880
N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51084945
(2S)-2-(1,3-benzothiazol-2-yl)-N-(4-methoxybutyl)piperidine-1-carboxamide
CID 94172156
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
(2S)-N-(4-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503073
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide?
The IUPAC name of (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide (CID 92503190) is (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide?
The canonical SMILES for (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide is COCCCNC(=O)N1CCCCC[C@@H]1c1cccs1.
What is the InChIKey of (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide?
The InChIKey is IPUPORJUPCZWBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-19-11-6-9-16-15(18)17-10-4-2-3-7-13(17)14-8-5-12-20-14/h5,8,12-13H,2-4,6-7,9-11H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide?
(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide is sourced from PubChem (CID 92503190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).