ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate

C20H29NO5S — CID 102210057

IUPACethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
SMILESCCOC(=O)[C@H](CCC(=O)C1CCCCC1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H29NO5S/c1-3-26-20(23)18(13-14-19(22)16-7-5-4-6-8-16)21-27(24,25)17-11-9-15(2)10-12-17/h9-12,16,18,21H,3-8,13-14H2,1-2H3/t18-/m0/s1
InChIKeyVICQXAPZPWBINK-SFHVURJKSA-N
MW395.52 g/mol
LogP3.13
Rot. Bonds9

About ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate

ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate (PubChem CID 102210057) has the molecular formula C20H29NO5S and a molecular weight of 395.52 g/mol. Its IUPAC name is ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate.

Molecular Properties

Compound Nameethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
PubChem CID102210057
Molecular FormulaC20H29NO5S
Molecular Weight395.52 g/mol
Exact Mass395.18
IUPAC Nameethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
SMILESCCOC(=O)[C@H](CCC(=O)C1CCCCC1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H29NO5S/c1-3-26-20(23)18(13-14-19(22)16-7-5-4-6-8-16)21-27(24,25)17-11-9-15(2)10-12-17/h9-12,16,18,21H,3-8,13-14H2,1-2H3/t18-/m0/s1
InChIKeyVICQXAPZPWBINK-SFHVURJKSA-N
XLogP3.13
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 15533211
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
ethyl (2S)-3-(cyclopenten-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 11024204
ethyl 2-(cyclopropanecarbonyl)-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 102487273
N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 47735927
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
CID 23659117
[2-(cyclopentylamino)-2-oxoethyl] (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 7878258
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
CID 7126519
2-[(4-methylphenyl)sulfonylamino]pentanedioyl dichloride
CID 71384812
lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 171479381
ethyl (2S,3S)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 59033490

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate?
The IUPAC name of ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate (CID 102210057) is ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate.
What is the SMILES notation for ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate?
The canonical SMILES for ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate is CCOC(=O)[C@H](CCC(=O)C1CCCCC1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate?
The InChIKey is VICQXAPZPWBINK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29NO5S/c1-3-26-20(23)18(13-14-19(22)16-7-5-4-6-8-16)21-27(24,25)17-11-9-15(2)10-12-17/h9-12,16,18,21H,3-8,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate?
ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate has a molecular weight of 395.52 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate is sourced from PubChem (CID 102210057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).