[2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate

C19H20ClN3O7S — CID 55306878

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClN3O7S/c1-21-19(26)23-17(24)11-30-18(25)13-5-8-15(29-2)16(9-13)31(27,28)22-10-12-3-6-14(20)7-4-12/h3-9,22H,10-11H2,1-2H3,(H2,21,23,24,26)
InChIKeyLVODNKMFWNHQDJ-UHFFFAOYSA-N
MW469.90 g/mol
LogP1.44
Rot. Bonds8

About [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate (PubChem CID 55306878) has the molecular formula C19H20ClN3O7S and a molecular weight of 469.90 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
PubChem CID55306878
Molecular FormulaC19H20ClN3O7S
Molecular Weight469.90 g/mol
Exact Mass469.07
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClN3O7S/c1-21-19(26)23-17(24)11-30-18(25)13-5-8-15(29-2)16(9-13)31(27,28)22-10-12-3-6-14(20)7-4-12/h3-9,22H,10-11H2,1-2H3,(H2,21,23,24,26)
InChIKeyLVODNKMFWNHQDJ-UHFFFAOYSA-N
XLogP1.44
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate
CID 55306794
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55841887
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55312769
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55584298
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
2-(4-chlorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974148
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate (CID 55306878) is [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate is CNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate?
The InChIKey is LVODNKMFWNHQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O7S/c1-21-19(26)23-17(24)11-30-18(25)13-5-8-15(29-2)16(9-13)31(27,28)22-10-12-3-6-14(20)7-4-12/h3-9,22H,10-11H2,1-2H3,(H2,21,23,24,26).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate has a molecular weight of 469.90 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoate is sourced from PubChem (CID 55306878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).