methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate

C28H32N2O5S — CID 166926475

IUPACmethyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate
SMILESCOC(=O)C(C)(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C28H32N2O5S/c1-19-11-7-8-14-21(19)26(31)29-24-17-18-25(23-16-10-9-15-22(23)24)36(33,34)30-28(2,27(32)35-3)20-12-5-4-6-13-20/h7-11,14-18,20,30H,4-6,12-13H2,1-3H3,(H,29,31)
InChIKeyHZMGEOBFHFEYSE-UHFFFAOYSA-N
MW508.64 g/mol
LogP5.19
Rot. Bonds7

About methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate

methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate (PubChem CID 166926475) has the molecular formula C28H32N2O5S and a molecular weight of 508.64 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate
PubChem CID166926475
Molecular FormulaC28H32N2O5S
Molecular Weight508.64 g/mol
Exact Mass508.20
IUPAC Namemethyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate
SMILESCOC(=O)C(C)(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C28H32N2O5S/c1-19-11-7-8-14-21(19)26(31)29-24-17-18-25(23-16-10-9-15-22(23)24)36(33,34)30-28(2,27(32)35-3)20-12-5-4-6-13-20/h7-11,14-18,20,30H,4-6,12-13H2,1-3H3,(H,29,31)
InChIKeyHZMGEOBFHFEYSE-UHFFFAOYSA-N
XLogP5.19
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate with MolForge

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Related Compounds

ethyl 1-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-3-carboxylate
CID 154455942
N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 66998594
tert-butyl 3-[1-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]ethyl]piperidine-1-carboxylate
CID 167339839
2-methyl-N-[4-[[1-(pyrrolidine-1-carboximidoyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59656510
4-[3-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propyl]piperidine-1-carboxamide
CID 90993185
N-[4-[[1-(2-aminoacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10254576
tert-butyl 3,3-dimethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656561
N-[4-(cyclohexylmethylsulfamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-methylbenzamide
CID 59656336
N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10255197
2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide
CID 167339772
methyl (3S,4S)-1-benzyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-3-carboxylate
CID 59718047
ethyl (3R,4R)-3-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656310

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate?
The IUPAC name of methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate (CID 166926475) is methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate?
The canonical SMILES for methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate is COC(=O)C(C)(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate?
The InChIKey is HZMGEOBFHFEYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5S/c1-19-11-7-8-14-21(19)26(31)29-24-17-18-25(23-16-10-9-15-22(23)24)36(33,34)30-28(2,27(32)35-3)20-12-5-4-6-13-20/h7-11,14-18,20,30H,4-6,12-13H2,1-3H3,(H,29,31).
What are the key properties of methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate?
methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate has a molecular weight of 508.64 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propanoate is sourced from PubChem (CID 166926475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).