methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate

C19H26N2O6S — CID 30875793

IUPACmethyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C19H26N2O6S/c1-13(22)14-5-7-16(8-6-14)28(25,26)21-11-9-15(10-12-21)17(23)20-19(2,3)18(24)27-4/h5-8,15H,9-12H2,1-4H3,(H,20,23)
InChIKeyYQCOJDAULZLJDJ-UHFFFAOYSA-N
MW410.49 g/mol
LogP1.36
Rot. Bonds6

About methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate

methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate (PubChem CID 30875793) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
PubChem CID30875793
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Namemethyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C19H26N2O6S/c1-13(22)14-5-7-16(8-6-14)28(25,26)21-11-9-15(10-12-21)17(23)20-19(2,3)18(24)27-4/h5-8,15H,9-12H2,1-4H3,(H,20,23)
InChIKeyYQCOJDAULZLJDJ-UHFFFAOYSA-N
XLogP1.36
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate
CID 55600254
ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55609575
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
CID 119405399
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
1-(4-acetylphenyl)sulfonyl-N-[(2R)-3-hydroxy-2-methylpropyl]piperidine-4-carboxamide
CID 97087231
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
methyl 4-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26583106
1-(4-acetylphenyl)sulfonyl-N-(2,5-dichlorophenyl)piperidine-4-carboxamide
CID 26577801
1-(4-acetylphenyl)sulfonyl-N-(2-amino-1-cyclopropylethyl)piperidine-4-carboxamide;hydrochloride
CID 119613445
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate (CID 30875793) is methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate?
The InChIKey is YQCOJDAULZLJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S/c1-13(22)14-5-7-16(8-6-14)28(25,26)21-11-9-15(10-12-21)17(23)20-19(2,3)18(24)27-4/h5-8,15H,9-12H2,1-4H3,(H,20,23).
What are the key properties of methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate has a molecular weight of 410.49 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 30875793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).