methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate

C19H22N2O6S2 — CID 24509343

IUPACmethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)s1
InChIInChI=1S/C19H22N2O6S2/c1-26-14-5-7-15(8-6-14)29(24,25)21-11-3-4-13(12-21)18(22)20-17-10-9-16(28-17)19(23)27-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyCUALFDWIADLIBV-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.58
Rot. Bonds6

About methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate

methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 24509343) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID24509343
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Namemethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)s1
InChIInChI=1S/C19H22N2O6S2/c1-26-14-5-7-15(8-6-14)29(24,25)21-11-3-4-13(12-21)18(22)20-17-10-9-16(28-17)19(23)27-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyCUALFDWIADLIBV-UHFFFAOYSA-N
XLogP2.58
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829248
(3S)-N-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302135
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28549881
1-(4-methoxyphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16829109
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate (CID 24509343) is methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)s1.
What is the InChIKey of methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is CUALFDWIADLIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-26-14-5-7-15(8-6-14)29(24,25)21-11-3-4-13(12-21)18(22)20-17-10-9-16(28-17)19(23)27-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22).
What are the key properties of methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate?
methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 24509343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).