[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

C20H23NO3S2 — CID 24793287

IUPAC[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCOCc1ccc(C(=O)N2CCCC(C(=O)c3ccc(SC)cc3)C2)s1
InChIInChI=1S/C20H23NO3S2/c1-24-13-17-9-10-18(26-17)20(23)21-11-3-4-15(12-21)19(22)14-5-7-16(25-2)8-6-14/h5-10,15H,3-4,11-13H2,1-2H3
InChIKeyQSIYSSOIUSUWDL-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.35
Rot. Bonds6

About [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 24793287) has the molecular formula C20H23NO3S2 and a molecular weight of 389.54 g/mol. Its IUPAC name is [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID24793287
Molecular FormulaC20H23NO3S2
Molecular Weight389.54 g/mol
Exact Mass389.11
IUPAC Name[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
SMILESCOCc1ccc(C(=O)N2CCCC(C(=O)c3ccc(SC)cc3)C2)s1
InChIInChI=1S/C20H23NO3S2/c1-24-13-17-9-10-18(26-17)20(23)21-11-3-4-15(12-21)19(22)14-5-7-16(25-2)8-6-14/h5-10,15H,3-4,11-13H2,1-2H3
InChIKeyQSIYSSOIUSUWDL-UHFFFAOYSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone (CID 24793287) is [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone is COCc1ccc(C(=O)N2CCCC(C(=O)c3ccc(SC)cc3)C2)s1.
What is the InChIKey of [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is QSIYSSOIUSUWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S2/c1-24-13-17-9-10-18(26-17)20(23)21-11-3-4-15(12-21)19(22)14-5-7-16(25-2)8-6-14/h5-10,15H,3-4,11-13H2,1-2H3.
What are the key properties of [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone?
[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 389.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 24793287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).