[2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C19H22N2O5S2 — CID 2367176

IUPAC[2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O5S2/c1-20(16-6-3-2-4-7-16)17(22)14-26-19(23)15-9-11-21(12-10-15)28(24,25)18-8-5-13-27-18/h2-8,13,15H,9-12,14H2,1H3
InChIKeyUFGUBFYLQIMPFH-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.36
Rot. Bonds6

About [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

[2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 2367176) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID2367176
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O5S2/c1-20(16-6-3-2-4-7-16)17(22)14-26-19(23)15-9-11-21(12-10-15)28(24,25)18-8-5-13-27-18/h2-8,13,15H,9-12,14H2,1H3
InChIKeyUFGUBFYLQIMPFH-UHFFFAOYSA-N
XLogP2.36
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-((2-methoxyacetyl)phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate
CID 13653617
(4-Phenylpiperazin-1-yl)(1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methanone
CID 1190372
Aes5epg2RX
CID 14494472
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366902
[4-(N-acetylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate
CID 14494470
[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate
CID 14494476
[4-(N-butanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl butanoate
CID 14494478
[4-[N-(2-methylpropanoyl)anilino]-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl 2-methylpropanoate
CID 14494480
[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl 2,2-dimethylpropanoate
CID 14494486
N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
CID 24980486
[2-(3-Acetylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2114248
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2435754

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 2367176) is [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is UFGUBFYLQIMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-20(16-6-3-2-4-7-16)17(22)14-26-19(23)15-9-11-21(12-10-15)28(24,25)18-8-5-13-27-18/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2367176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).