N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C23H22N2O5S2 — CID 43013525

IUPACN-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)oc1ccccc12
InChIInChI=1S/C23H22N2O5S2/c1-29-21-12-17-16-7-2-3-8-19(16)30-20(17)13-18(21)24-23(26)15-6-4-10-25(14-15)32(27,28)22-9-5-11-31-22/h2-3,5,7-9,11-13,15H,4,6,10,14H2,1H3,(H,24,26)
InChIKeyFKPPMJUBOUYHAN-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.70
Rot. Bonds5

About N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 43013525) has the molecular formula C23H22N2O5S2 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID43013525
Molecular FormulaC23H22N2O5S2
Molecular Weight470.57 g/mol
Exact Mass470.10
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)oc1ccccc12
InChIInChI=1S/C23H22N2O5S2/c1-29-21-12-17-16-7-2-3-8-19(16)30-20(17)13-18(21)24-23(26)15-6-4-10-25(14-15)32(27,28)22-9-5-11-31-22/h2-3,5,7-9,11-13,15H,4,6,10,14H2,1H3,(H,24,26)
InChIKeyFKPPMJUBOUYHAN-UHFFFAOYSA-N
XLogP4.70
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270
N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404064
(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide
CID 2111778
(3S)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94012773
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55956907
1-(2-fluorophenyl)sulfonyl-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413454
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942892
(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 25496180
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 43013525) is N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is COc1cc2c(cc1NC(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is FKPPMJUBOUYHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S2/c1-29-21-12-17-16-7-2-3-8-19(16)30-20(17)13-18(21)24-23(26)15-6-4-10-25(14-15)32(27,28)22-9-5-11-31-22/h2-3,5,7-9,11-13,15H,4,6,10,14H2,1H3,(H,24,26).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43013525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).