N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide

C25H26FN3O5S — CID 46487202

IUPACN-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1
InChIInChI=1S/C25H26FN3O5S/c1-4-29(5-2)35(32,33)21-12-9-17(10-13-21)24(30)27-20-11-14-23(34-3)22(16-20)28-25(31)18-7-6-8-19(26)15-18/h6-16H,4-5H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyMPXRNNSXFQPVJC-UHFFFAOYSA-N
MW499.56 g/mol
LogP4.37
Rot. Bonds9

About N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide

N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide (PubChem CID 46487202) has the molecular formula C25H26FN3O5S and a molecular weight of 499.56 g/mol. Its IUPAC name is N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
PubChem CID46487202
Molecular FormulaC25H26FN3O5S
Molecular Weight499.56 g/mol
Exact Mass499.16
IUPAC NameN-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1
InChIInChI=1S/C25H26FN3O5S/c1-4-29(5-2)35(32,33)21-12-9-17(10-13-21)24(30)27-20-11-14-23(34-3)22(16-20)28-25(31)18-7-6-8-19(26)15-18/h6-16H,4-5H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyMPXRNNSXFQPVJC-UHFFFAOYSA-N
XLogP4.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 31398138
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 1011816
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide?
The IUPAC name of N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide (CID 46487202) is N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1.
What is the InChIKey of N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide?
The InChIKey is MPXRNNSXFQPVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5S/c1-4-29(5-2)35(32,33)21-12-9-17(10-13-21)24(30)27-20-11-14-23(34-3)22(16-20)28-25(31)18-7-6-8-19(26)15-18/h6-16H,4-5H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide?
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide has a molecular weight of 499.56 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide is sourced from PubChem (CID 46487202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).