(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate

C16H16N2O6S — CID 26961268

IUPAC(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H16N2O6S/c1-23-14-7-6-12(25(18,21)22)8-13(14)16(20)24-9-10-2-4-11(5-3-10)15(17)19/h2-8H,9H2,1H3,(H2,17,19)(H2,18,21,22)
InChIKeySTIFLVSCZNQXTN-UHFFFAOYSA-N
MW364.38 g/mol
LogP0.80
Rot. Bonds6

About (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate

(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate (PubChem CID 26961268) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
PubChem CID26961268
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H16N2O6S/c1-23-14-7-6-12(25(18,21)22)8-13(14)16(20)24-9-10-2-4-11(5-3-10)15(17)19/h2-8H,9H2,1H3,(H2,17,19)(H2,18,21,22)
InChIKeySTIFLVSCZNQXTN-UHFFFAOYSA-N
XLogP0.80
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 16570421
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7890719
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467900
[2-oxo-2-(propan-2-ylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467931
2-methylpentyl 2-methoxy-5-sulfamoylbenzoate
CID 103286167
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7467913
N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 7467961
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate (CID 26961268) is (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate is COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccc(C(N)=O)cc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is STIFLVSCZNQXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-23-14-7-6-12(25(18,21)22)8-13(14)16(20)24-9-10-2-4-11(5-3-10)15(17)19/h2-8H,9H2,1H3,(H2,17,19)(H2,18,21,22).
What are the key properties of (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate has a molecular weight of 364.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 26961268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).