N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide

C23H23FN2O4S — CID 31138593

IUPACN-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3F)c2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-25(16-18-7-4-5-10-22(18)24)23(27)17-8-6-9-21(15-17)31(28,29)26(2)19-11-13-20(30-3)14-12-19/h4-15H,16H2,1-3H3
InChIKeyGVPBVXRWGKTYNP-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.93
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide

N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide (PubChem CID 31138593) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
PubChem CID31138593
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3F)c2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-25(16-18-7-4-5-10-22(18)24)23(27)17-8-6-9-21(15-17)31(28,29)26(2)19-11-13-20(30-3)14-12-19/h4-15H,16H2,1-3H3
InChIKeyGVPBVXRWGKTYNP-UHFFFAOYSA-N
XLogP3.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-ethyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55593512
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
N-[(2-chlorophenyl)methyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26731966
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
CID 3472525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide
CID 43052353

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide (CID 31138593) is N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3F)c2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide?
The InChIKey is GVPBVXRWGKTYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-25(16-18-7-4-5-10-22(18)24)23(27)17-8-6-9-21(15-17)31(28,29)26(2)19-11-13-20(30-3)14-12-19/h4-15H,16H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide?
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide has a molecular weight of 442.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 31138593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).