azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone

C20H25NO2S — CID 19486924

IUPACazepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone
SMILESCc1cccc(C)c1OCc1csc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H25NO2S/c1-15-8-7-9-16(2)19(15)23-13-17-12-18(24-14-17)20(22)21-10-5-3-4-6-11-21/h7-9,12,14H,3-6,10-11,13H2,1-2H3
InChIKeyLFOIWGBMZNDXOM-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.96
Rot. Bonds4

About azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone

azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone (PubChem CID 19486924) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone
PubChem CID19486924
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Nameazepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone
SMILESCc1cccc(C)c1OCc1csc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H25NO2S/c1-15-8-7-9-16(2)19(15)23-13-17-12-18(24-14-17)20(22)21-10-5-3-4-6-11-21/h7-9,12,14H,3-6,10-11,13H2,1-2H3
InChIKeyLFOIWGBMZNDXOM-UHFFFAOYSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[4-[(2,5-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471561
[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19488703
[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19488654
[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 19499165
[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19488632
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19501310
4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide
CID 19488699
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
ethyl 4-[4-[(3-methylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate
CID 19491133
[4-[(2,3-dimethylphenoxy)methyl]thiophen-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19495330
4-[(2,6-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19488686
[4-[(2,3-dimethylphenoxy)methyl]thiophen-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19495395

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone?
The IUPAC name of azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone (CID 19486924) is azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone is Cc1cccc(C)c1OCc1csc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone?
The InChIKey is LFOIWGBMZNDXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15-8-7-9-16(2)19(15)23-13-17-12-18(24-14-17)20(22)21-10-5-3-4-6-11-21/h7-9,12,14H,3-6,10-11,13H2,1-2H3.
What are the key properties of azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone?
azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone has a molecular weight of 343.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone is sourced from PubChem (CID 19486924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).