ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate

C20H24N2O6S2 — CID 16862935

IUPACethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C20H24N2O6S2/c1-3-28-20(24)17-10-12-29-19(17)21-18(23)14-5-4-11-22(13-14)30(25,26)16-8-6-15(27-2)7-9-16/h6-10,12,14H,3-5,11,13H2,1-2H3,(H,21,23)
InChIKeyMXGMSVOFXZGLLR-UHFFFAOYSA-N
MW452.55 g/mol
LogP2.97
Rot. Bonds7

About ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate

ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 16862935) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
PubChem CID16862935
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Nameethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C20H24N2O6S2/c1-3-28-20(24)17-10-12-29-19(17)21-18(23)14-5-4-11-22(13-14)30(25,26)16-8-6-15(27-2)7-9-16/h6-10,12,14H,3-5,11,13H2,1-2H3,(H,21,23)
InChIKeyMXGMSVOFXZGLLR-UHFFFAOYSA-N
XLogP2.97
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
CID 16862934
1-(4-methoxyphenyl)sulfonyl-N-[3-(methylcarbamoyl)thiophen-2-yl]piperidine-3-carboxamide
CID 16862939
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-(2-amino-2-oxoethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9297102
ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
CID 94638463
ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 41100010

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate (CID 16862935) is ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is MXGMSVOFXZGLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-3-28-20(24)17-10-12-29-19(17)21-18(23)14-5-4-11-22(13-14)30(25,26)16-8-6-15(27-2)7-9-16/h6-10,12,14H,3-5,11,13H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 452.55 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 16862935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).