(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate

C22H20N2O6S — CID 43039121

IUPAC(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C22H20N2O6S/c1-29-20-8-3-2-7-19(20)24-31(27,28)18-6-4-5-17(13-18)22(26)30-14-15-9-11-16(12-10-15)21(23)25/h2-13,24H,14H2,1H3,(H2,23,25)
InChIKeyNSOUHHRQVUPSNV-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.95
Rot. Bonds8

About (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate

(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 43039121) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID43039121
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C22H20N2O6S/c1-29-20-8-3-2-7-19(20)24-31(27,28)18-6-4-5-17(13-18)22(26)30-14-15-9-11-16(12-10-15)21(23)25/h2-13,24H,14H2,1H3,(H2,23,25)
InChIKeyNSOUHHRQVUPSNV-UHFFFAOYSA-N
XLogP2.95
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate
CID 30768646
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 42977693
(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43039119
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43012374
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43039120
[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
CID 2520940
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate (CID 43039121) is (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is NSOUHHRQVUPSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-29-20-8-3-2-7-19(20)24-31(27,28)18-6-4-5-17(13-18)22(26)30-14-15-9-11-16(12-10-15)21(23)25/h2-13,24H,14H2,1H3,(H2,23,25).
What are the key properties of (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 440.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 43039121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).