1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

C19H18N2O6S — CID 8700583

IUPAC1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc3ccccc3o2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H18N2O6S/c1-25-16-9-6-12(10-17(16)28(23,24)21-13-7-8-13)19(22)26-11-18-20-14-4-2-3-5-15(14)27-18/h2-6,9-10,13,21H,7-8,11H2,1H3
InChIKeySQZFDAXZSMAMJN-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.63
Rot. Bonds7

About 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (PubChem CID 8700583) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
PubChem CID8700583
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC Name1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nc3ccccc3o2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H18N2O6S/c1-25-16-9-6-12(10-17(16)28(23,24)21-13-7-8-13)19(22)26-11-18-20-14-4-2-3-5-15(14)27-18/h2-6,9-10,13,21H,7-8,11H2,1H3
InChIKeySQZFDAXZSMAMJN-UHFFFAOYSA-N
XLogP2.63
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 46819279
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 16570626
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
(2-chloro-6-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991085
[4-(2-cyanophenyl)phenyl]methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 30292306
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 55536740
1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
1,3-benzoxazol-2-ylmethyl (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate
CID 9485089
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702678

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (CID 8700583) is 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OCc2nc3ccccc3o2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The InChIKey is SQZFDAXZSMAMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-25-16-9-6-12(10-17(16)28(23,24)21-13-7-8-13)19(22)26-11-18-20-14-4-2-3-5-15(14)27-18/h2-6,9-10,13,21H,7-8,11H2,1H3.
What are the key properties of 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate has a molecular weight of 402.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 8700583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).