N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide

C17H18FN3O6S — CID 9295134

IUPACN-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)NCC(N)=O)c1OC
InChIInChI=1S/C17H18FN3O6S/c1-26-14-8-10(28(24,25)21-13-6-4-3-5-12(13)18)7-11(16(14)27-2)17(23)20-9-15(19)22/h3-8,21H,9H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMUVQPDDJEQSQTN-UHFFFAOYSA-N
MW411.41 g/mol
LogP0.86
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide

N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide (PubChem CID 9295134) has the molecular formula C17H18FN3O6S and a molecular weight of 411.41 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
PubChem CID9295134
Molecular FormulaC17H18FN3O6S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC NameN-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)NCC(N)=O)c1OC
InChIInChI=1S/C17H18FN3O6S/c1-26-14-8-10(28(24,25)21-13-6-4-3-5-12(13)18)7-11(16(14)27-2)17(23)20-9-15(19)22/h3-8,21H,9H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMUVQPDDJEQSQTN-UHFFFAOYSA-N
XLogP0.86
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylaminocarbamoyl)-N-(2-fluorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 9163771
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 27364829
N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
CID 41104484
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 30502190
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 41080971
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate
CID 98384330
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate
CID 98384329
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide (CID 9295134) is N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide is COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)NCC(N)=O)c1OC.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide?
The InChIKey is MUVQPDDJEQSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O6S/c1-26-14-8-10(28(24,25)21-13-6-4-3-5-12(13)18)7-11(16(14)27-2)17(23)20-9-15(19)22/h3-8,21H,9H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide?
N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide has a molecular weight of 411.41 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 9295134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).