methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate

C24H30N2O7S — CID 45372813

IUPACmethyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H30N2O7S/c1-31-21-14-19(24(28)33-3)20(15-22(21)32-2)25-23(27)16-26(17-10-6-4-7-11-17)34(29,30)18-12-8-5-9-13-18/h5,8-9,12-15,17H,4,6-7,10-11,16H2,1-3H3,(H,25,27)
InChIKeyGLUVKNCZTYWDLM-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.45
Rot. Bonds9

About methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate

methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate (PubChem CID 45372813) has the molecular formula C24H30N2O7S and a molecular weight of 490.58 g/mol. Its IUPAC name is methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate
PubChem CID45372813
Molecular FormulaC24H30N2O7S
Molecular Weight490.58 g/mol
Exact Mass490.18
IUPAC Namemethyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H30N2O7S/c1-31-21-14-19(24(28)33-3)20(15-22(21)32-2)25-23(27)16-26(17-10-6-4-7-11-17)34(29,30)18-12-8-5-9-13-18/h5,8-9,12-15,17H,4,6-7,10-11,16H2,1-3H3,(H,25,27)
InChIKeyGLUVKNCZTYWDLM-UHFFFAOYSA-N
XLogP3.45
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate with MolForge

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Related Compounds

2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1331504
methyl 2-[[2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 1001605
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126010855
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
methyl 2-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]-4,5-dimethoxybenzoate
CID 45372802
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 92511645
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 126010831
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 41263670
2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 25249574

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate (CID 45372813) is methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate?
The InChIKey is GLUVKNCZTYWDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7S/c1-31-21-14-19(24(28)33-3)20(15-22(21)32-2)25-23(27)16-26(17-10-6-4-7-11-17)34(29,30)18-12-8-5-9-13-18/h5,8-9,12-15,17H,4,6-7,10-11,16H2,1-3H3,(H,25,27).
What are the key properties of methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate?
methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate has a molecular weight of 490.58 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 45372813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).