ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate

C23H28N2O6S — CID 100655496

IUPACethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O6S/c1-4-31-23(27)18-5-10-21(16(2)15-18)24-22(26)17-11-13-25(14-12-17)32(28,29)20-8-6-19(30-3)7-9-20/h5-10,15,17H,4,11-14H2,1-3H3,(H,24,26)
InChIKeyHGZRGLLFUHIQFW-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.22
Rot. Bonds7

About ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate

ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate (PubChem CID 100655496) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate
PubChem CID100655496
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Nameethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O6S/c1-4-31-23(27)18-5-10-21(16(2)15-18)24-22(26)17-11-13-25(14-12-17)32(28,29)20-8-6-19(30-3)7-9-20/h5-10,15,17H,4,11-14H2,1-3H3,(H,24,26)
InChIKeyHGZRGLLFUHIQFW-UHFFFAOYSA-N
XLogP3.22
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbenzoate
CID 133168230
ethyl 4-[[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-3-methylbenzoate
CID 99953553
ethyl 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-3-methylbenzoate
CID 99953680
ethyl 3-methyl-4-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 46778765
dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26695275
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
ethyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]-3-methylbenzoate
CID 92671950
methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 1075443
N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974
1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 31287920
(3,4-dimethylphenyl)-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 110394212
ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55609575

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate?
The IUPAC name of ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate (CID 100655496) is ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate.
What is the SMILES notation for ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate?
The canonical SMILES for ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate is CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c(C)c1.
What is the InChIKey of ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate?
The InChIKey is HGZRGLLFUHIQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-4-31-23(27)18-5-10-21(16(2)15-18)24-22(26)17-11-13-25(14-12-17)32(28,29)20-8-6-19(30-3)7-9-20/h5-10,15,17H,4,11-14H2,1-3H3,(H,24,26).
What are the key properties of ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate?
ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate has a molecular weight of 460.55 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate is sourced from PubChem (CID 100655496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).