ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate

C18H26N2O5S — CID 110291797

IUPACethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C18H26N2O5S/c1-3-25-18(22)17(21)19-12-11-15-7-9-16(10-8-15)26(23,24)20-13-5-4-6-14(20)2/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21)
InChIKeyWSUUDHCFURKBJU-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.47
Rot. Bonds6

About ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate

ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate (PubChem CID 110291797) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
PubChem CID110291797
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Nameethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C18H26N2O5S/c1-3-25-18(22)17(21)19-12-11-15-7-9-16(10-8-15)26(23,24)20-13-5-4-6-14(20)2/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21)
InChIKeyWSUUDHCFURKBJU-UHFFFAOYSA-N
XLogP1.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110630199
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
ethyl 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286192
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
CID 7369009
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate (CID 110291797) is ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate?
The InChIKey is WSUUDHCFURKBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-3-25-18(22)17(21)19-12-11-15-7-9-16(10-8-15)26(23,24)20-13-5-4-6-14(20)2/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate?
ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate has a molecular weight of 382.48 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate is sourced from PubChem (CID 110291797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).