N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide

C15H26N2O2S — CID 110445941

IUPACN-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide
SMILESCCN(CC)CCCCCNC(=O)c1sccc1OC
InChIInChI=1S/C15H26N2O2S/c1-4-17(5-2)11-8-6-7-10-16-15(18)14-13(19-3)9-12-20-14/h9,12H,4-8,10-11H2,1-3H3,(H,16,18)
InChIKeyQUPFGHRMGRTAQM-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.00
Rot. Bonds10

About N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide

N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide (PubChem CID 110445941) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide
PubChem CID110445941
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide
SMILESCCN(CC)CCCCCNC(=O)c1sccc1OC
InChIInChI=1S/C15H26N2O2S/c1-4-17(5-2)11-8-6-7-10-16-15(18)14-13(19-3)9-12-20-14/h9,12H,4-8,10-11H2,1-3H3,(H,16,18)
InChIKeyQUPFGHRMGRTAQM-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
CID 78946123
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide
CID 107847427
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 114758221
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methoxythiophene-2-carboxamide
CID 107867966
methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide (CID 110445941) is N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide is CCN(CC)CCCCCNC(=O)c1sccc1OC.
What is the InChIKey of N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is QUPFGHRMGRTAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-17(5-2)11-8-6-7-10-16-15(18)14-13(19-3)9-12-20-14/h9,12H,4-8,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide?
N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 298.45 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 110445941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).