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

C20H24N2O5S2 — CID 16862934

IUPACethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C20H24N2O5S2/c1-3-27-20(24)17-10-12-28-19(17)21-18(23)15-5-4-11-22(13-15)29(25,26)16-8-6-14(2)7-9-16/h6-10,12,15H,3-5,11,13H2,1-2H3,(H,21,23)
InChIKeyZZFDWXOEONNFFY-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.27
Rot. Bonds6

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

ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 16862934) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
PubChem CID16862934
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Nameethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C20H24N2O5S2/c1-3-27-20(24)17-10-12-28-19(17)21-18(23)15-5-4-11-22(13-15)29(25,26)16-8-6-14(2)7-9-16/h6-10,12,15H,3-5,11,13H2,1-2H3,(H,21,23)
InChIKeyZZFDWXOEONNFFY-UHFFFAOYSA-N
XLogP3.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
CID 16862935
ethyl 2-chloro-5-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 100665355
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7166930
ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 16862892
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
1-(4-methoxyphenyl)sulfonyl-N-[3-(methylcarbamoyl)thiophen-2-yl]piperidine-3-carboxamide
CID 16862939
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854
ethyl 6-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 16863633
ethyl 2-[[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 38074517
ethyl 2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 38074512
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate (CID 16862934) is ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is ZZFDWXOEONNFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-3-27-20(24)17-10-12-28-19(17)21-18(23)15-5-4-11-22(13-15)29(25,26)16-8-6-14(2)7-9-16/h6-10,12,15H,3-5,11,13H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 16862934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).