ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate

C22H28N2O6S — CID 56548086

IUPACethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)C(C)C
InChIInChI=1S/C22H28N2O6S/c1-6-30-21(25)14-24(15(2)3)22(26)17-9-12-19(29-5)20(13-17)31(27,28)23-18-10-7-16(4)8-11-18/h7-13,15,23H,6,14H2,1-5H3
InChIKeyOESYVBJTQLKDEG-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.22
Rot. Bonds9

About ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate

ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate (PubChem CID 56548086) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
PubChem CID56548086
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Nameethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)C(C)C
InChIInChI=1S/C22H28N2O6S/c1-6-30-21(25)14-24(15(2)3)22(26)17-9-12-19(29-5)20(13-17)31(27,28)23-18-10-7-16(4)8-11-18/h7-13,15,23H,6,14H2,1-5H3
InChIKeyOESYVBJTQLKDEG-UHFFFAOYSA-N
XLogP3.22
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
ethyl 2-[(3-bromo-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61021807
N-[(1R)-1-cyclopropylethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 51648761
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 56547990
4-methoxy-N-methyl-N-(4-methylcyclohexyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27165164
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39735566
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43004687
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55415614

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate (CID 56548086) is ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)C(C)C.
What is the InChIKey of ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate?
The InChIKey is OESYVBJTQLKDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-6-30-21(25)14-24(15(2)3)22(26)17-9-12-19(29-5)20(13-17)31(27,28)23-18-10-7-16(4)8-11-18/h7-13,15,23H,6,14H2,1-5H3.
What are the key properties of ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate?
ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate has a molecular weight of 448.54 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 56548086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).