methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate

C17H24N2O6S — CID 139617757

IUPACmethyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate
SMILESCOC(=O)c1cc(NC(C)=O)c(OC2CCCCC2)c(NS(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O6S/c1-11(20)18-14-9-12(17(21)24-2)10-15(19-26(3,22)23)16(14)25-13-7-5-4-6-8-13/h9-10,13,19H,4-8H2,1-3H3,(H,18,20)
InChIKeyUITIIOXPJCVWCR-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.51
Rot. Bonds6

About methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate

methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate (PubChem CID 139617757) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate.

Molecular Properties

Compound Namemethyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate
PubChem CID139617757
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Namemethyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate
SMILESCOC(=O)c1cc(NC(C)=O)c(OC2CCCCC2)c(NS(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O6S/c1-11(20)18-14-9-12(17(21)24-2)10-15(19-26(3,22)23)16(14)25-13-7-5-4-6-8-13/h9-10,13,19H,4-8H2,1-3H3,(H,18,20)
InChIKeyUITIIOXPJCVWCR-UHFFFAOYSA-N
XLogP2.51
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
CID 158093078
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 31873271
N-(2-cyclohexyloxy-3-nitrosophenyl)methanesulfonamide
CID 142190537
N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide
CID 139613409
N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide
CID 22406117
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
N-[4-cyclohexyloxy-5-(methanesulfonamido)-2-nitrophenyl]butanamide
CID 15233441
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate
CID 110424099
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
methyl 3-amino-4-(methanesulfonamido)benzoate
CID 163342868

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate?
The IUPAC name of methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate (CID 139617757) is methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate.
What is the SMILES notation for methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate?
The canonical SMILES for methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate is COC(=O)c1cc(NC(C)=O)c(OC2CCCCC2)c(NS(C)(=O)=O)c1.
What is the InChIKey of methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate?
The InChIKey is UITIIOXPJCVWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-11(20)18-14-9-12(17(21)24-2)10-15(19-26(3,22)23)16(14)25-13-7-5-4-6-8-13/h9-10,13,19H,4-8H2,1-3H3,(H,18,20).
What are the key properties of methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate?
methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate has a molecular weight of 384.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate is sourced from PubChem (CID 139617757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).