2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate

C21H28N2O6S2 — CID 46607906

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
SMILESCOc1ccc(C(=O)OCCn2c(C)csc2=O)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C21H28N2O6S2/c1-14-6-4-5-7-17(14)22-31(26,27)19-12-16(8-9-18(19)28-3)20(24)29-11-10-23-15(2)13-30-21(23)25/h8-9,12-14,17,22H,4-7,10-11H2,1-3H3
InChIKeyUVFYSDMFCGMFTJ-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.94
Rot. Bonds8

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate (PubChem CID 46607906) has the molecular formula C21H28N2O6S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
PubChem CID46607906
Molecular FormulaC21H28N2O6S2
Molecular Weight468.60 g/mol
Exact Mass468.14
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
SMILESCOc1ccc(C(=O)OCCn2c(C)csc2=O)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C21H28N2O6S2/c1-14-6-4-5-7-17(14)22-31(26,27)19-12-16(8-9-18(19)28-3)20(24)29-11-10-23-15(2)13-30-21(23)25/h8-9,12-14,17,22H,4-7,10-11H2,1-3H3
InChIKeyUVFYSDMFCGMFTJ-UHFFFAOYSA-N
XLogP2.94
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate with MolForge

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Related Compounds

cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-methoxybenzoate
CID 55321626
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 16552462
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate (CID 46607906) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate is COc1ccc(C(=O)OCCn2c(C)csc2=O)cc1S(=O)(=O)NC1CCCCC1C.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate?
The InChIKey is UVFYSDMFCGMFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S2/c1-14-6-4-5-7-17(14)22-31(26,27)19-12-16(8-9-18(19)28-3)20(24)29-11-10-23-15(2)13-30-21(23)25/h8-9,12-14,17,22H,4-7,10-11H2,1-3H3.
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate has a molecular weight of 468.60 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate is sourced from PubChem (CID 46607906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).