ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate

C18H27NO5S — CID 15533211

IUPACethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)C(O)C1CCCCC1
InChIInChI=1S/C18H27NO5S/c1-3-24-18(21)16(17(20)14-7-5-4-6-8-14)19-25(22,23)15-11-9-13(2)10-12-15/h9-12,14,16-17,19-20H,3-8H2,1-2H3
InChIKeyGIFBYQDUCWYWDI-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.15
Rot. Bonds7

About ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate

ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 15533211) has the molecular formula C18H27NO5S and a molecular weight of 369.48 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID15533211
Molecular FormulaC18H27NO5S
Molecular Weight369.48 g/mol
Exact Mass369.16
IUPAC Nameethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)C(O)C1CCCCC1
InChIInChI=1S/C18H27NO5S/c1-3-24-18(21)16(17(20)14-7-5-4-6-8-14)19-25(22,23)15-11-9-13(2)10-12-15/h9-12,14,16-17,19-20H,3-8H2,1-2H3
InChIKeyGIFBYQDUCWYWDI-UHFFFAOYSA-N
XLogP2.15
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 102210057
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565526
ethyl 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-phenylpent-4-ynoate
CID 15533210
CID 10928938
CID 10928938
ethyl (2S,3S)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 59033490
diethyl 2-dimethoxyphosphoryl-3-[(4-methylphenyl)sulfonylamino]butanedioate
CID 54763274
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
CID 23659117
ethyl 2-(cyclopropanecarbonyl)-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 102487273
[2-(cycloheptylamino)-2-oxoethyl] (2R,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 40917950
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8843884
ethyl 3-cycloheptyl-2-formamido-3-hydroxypropanoate
CID 66205924

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate (CID 15533211) is ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate is CCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)C(O)C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is GIFBYQDUCWYWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5S/c1-3-24-18(21)16(17(20)14-7-5-4-6-8-14)19-25(22,23)15-11-9-13(2)10-12-15/h9-12,14,16-17,19-20H,3-8H2,1-2H3.
What are the key properties of ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate?
ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 369.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 15533211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).