(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

C20H21NO7S — CID 8700570

IUPAC(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOC(=O)c1cccc(COC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C20H21NO7S/c1-26-17-9-6-15(11-18(17)29(24,25)21-16-7-8-16)20(23)28-12-13-4-3-5-14(10-13)19(22)27-2/h3-6,9-11,16,21H,7-8,12H2,1-2H3
InChIKeyRHJLRVGGNKTZNK-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.28
Rot. Bonds8

About (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (PubChem CID 8700570) has the molecular formula C20H21NO7S and a molecular weight of 419.46 g/mol. Its IUPAC name is (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
PubChem CID8700570
Molecular FormulaC20H21NO7S
Molecular Weight419.46 g/mol
Exact Mass419.10
IUPAC Name(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOC(=O)c1cccc(COC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C20H21NO7S/c1-26-17-9-6-15(11-18(17)29(24,25)21-16-7-8-16)20(23)28-12-13-4-3-5-14(10-13)19(22)27-2/h3-6,9-11,16,21H,7-8,12H2,1-2H3
InChIKeyRHJLRVGGNKTZNK-UHFFFAOYSA-N
XLogP2.28
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
(2-chloro-6-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991085
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
[4-(2-cyanophenyl)phenyl]methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 30292306
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 46819279
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702678
1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700583
(3-fluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974215
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308
[2-(1-adamantyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702712
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551

Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (CID 8700570) is (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is COC(=O)c1cccc(COC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c1.
What is the InChIKey of (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The InChIKey is RHJLRVGGNKTZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7S/c1-26-17-9-6-15(11-18(17)29(24,25)21-16-7-8-16)20(23)28-12-13-4-3-5-14(10-13)19(22)27-2/h3-6,9-11,16,21H,7-8,12H2,1-2H3.
What are the key properties of (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate has a molecular weight of 419.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 8700570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).