methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate

C20H25NO4S — CID 3263184

IUPACmethyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCOC(=O)C(CC1CCCCC1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H25NO4S/c1-25-20(22)19(13-15-7-3-2-4-8-15)21-26(23,24)18-12-11-16-9-5-6-10-17(16)14-18/h5-6,9-12,14-15,19,21H,2-4,7-8,13H2,1H3
InChIKeyXKDYRMWDZWGBBC-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.63
Rot. Bonds6

About methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate

methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 3263184) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID3263184
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Namemethyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate
SMILESCOC(=O)C(CC1CCCCC1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H25NO4S/c1-25-20(22)19(13-15-7-3-2-4-8-15)21-26(23,24)18-12-11-16-9-5-6-10-17(16)14-18/h5-6,9-12,14-15,19,21H,2-4,7-8,13H2,1H3
InChIKeyXKDYRMWDZWGBBC-UHFFFAOYSA-N
XLogP3.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-cyclohexylpropanoate
CID 74227202
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
ethyl (2R)-2-(3-hydroxycycloheptyl)-2-(naphthalen-2-ylsulfonylamino)acetate
CID 70236207
2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633
methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-6-(naphthalen-2-ylsulfonylamino)hexanoate
CID 74225288
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
tert-butyl (3S)-4-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoate
CID 10347427
(2S)-5-(4-aminophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide
CID 15515701
(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724357
(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
CID 54460606

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate (CID 3263184) is methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate is COC(=O)C(CC1CCCCC1)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is XKDYRMWDZWGBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-25-20(22)19(13-15-7-3-2-4-8-15)21-26(23,24)18-12-11-16-9-5-6-10-17(16)14-18/h5-6,9-12,14-15,19,21H,2-4,7-8,13H2,1H3.
What are the key properties of methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate?
methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 375.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-2-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 3263184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).