[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

C24H26N2O5S2 — CID 55425648

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
SMILESCCN(C(=O)COC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H26N2O5S2/c1-2-26(21-12-5-9-18-8-3-4-11-20(18)21)22(27)17-31-24(28)19-10-6-14-25(16-19)33(29,30)23-13-7-15-32-23/h3-5,7-9,11-13,15,19H,2,6,10,14,16-17H2,1H3
InChIKeyBHJKQVFRWLGPET-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.90
Rot. Bonds7

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate (PubChem CID 55425648) has the molecular formula C24H26N2O5S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
PubChem CID55425648
Molecular FormulaC24H26N2O5S2
Molecular Weight486.62 g/mol
Exact Mass486.13
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
SMILESCCN(C(=O)COC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H26N2O5S2/c1-2-26(21-12-5-9-18-8-3-4-11-20(18)21)22(27)17-31-24(28)19-10-6-14-25(16-19)33(29,30)23-13-7-15-32-23/h3-5,7-9,11-13,15,19H,2,6,10,14,16-17H2,1H3
InChIKeyBHJKQVFRWLGPET-UHFFFAOYSA-N
XLogP3.90
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425866
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55563474
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
[2-(N-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 46659401
N-(2-naphthalen-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46442413
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425937
(3S)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41188413
(3R)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 39947737
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate (CID 55425648) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate is CCN(C(=O)COC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate?
The InChIKey is BHJKQVFRWLGPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S2/c1-2-26(21-12-5-9-18-8-3-4-11-20(18)21)22(27)17-31-24(28)19-10-6-14-25(16-19)33(29,30)23-13-7-15-32-23/h3-5,7-9,11-13,15,19H,2,6,10,14,16-17H2,1H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate has a molecular weight of 486.62 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 55425648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).