5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide

C21H28N2O2S — CID 20940483

IUPAC5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCCC2)s1
InChIInChI=1S/C21H28N2O2S/c1-25-15-9-12-22-20(24)19-16-18(17-10-5-4-6-11-17)21(26-19)23-13-7-2-3-8-14-23/h4-6,10-11,16H,2-3,7-9,12-15H2,1H3,(H,22,24)
InChIKeyAGOCXKKQXZIPED-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.56
Rot. Bonds7

About 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide

5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide (PubChem CID 20940483) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide
PubChem CID20940483
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCCC2)s1
InChIInChI=1S/C21H28N2O2S/c1-25-15-9-12-22-20(24)19-16-18(17-10-5-4-6-11-17)21(26-19)23-13-7-2-3-8-14-23/h4-6,10-11,16H,2-3,7-9,12-15H2,1H3,(H,22,24)
InChIKeyAGOCXKKQXZIPED-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.56
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-[2-(4-ethylpiperazin-1-yl)ethyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 20940455
5-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-4-phenylthiophene-2-carboxamide
CID 20940482
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
[2-oxo-2-(pentylamino)ethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 9126737
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 24516873
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
5-[(2,2-diphenylacetyl)amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3595369
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide (CID 20940483) is 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide is COCCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCCC2)s1.
What is the InChIKey of 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide?
The InChIKey is AGOCXKKQXZIPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-25-15-9-12-22-20(24)19-16-18(17-10-5-4-6-11-17)21(26-19)23-13-7-2-3-8-14-23/h4-6,10-11,16H,2-3,7-9,12-15H2,1H3,(H,22,24).
What are the key properties of 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide?
5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide has a molecular weight of 372.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 20940483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).