N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide

C22H21FN2O3S — CID 46022588

IUPACN-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-16-7-11-20(12-8-16)25(15-18-5-3-4-6-22(18)23)29(27,28)21-13-9-19(10-14-21)24-17(2)26/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyXLLQJUCJMLYCBL-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.49
Rot. Bonds6

About N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide

N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 46022588) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID46022588
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC NameN-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-16-7-11-20(12-8-16)25(15-18-5-3-4-6-22(18)23)29(27,28)21-13-9-19(10-14-21)24-17(2)26/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyXLLQJUCJMLYCBL-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-methylphenyl)-[(4-methylphenyl)methyl]sulfamoyl]phenyl]acetamide
CID 46022239
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 126058172
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
2-[[2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132623983
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126095136
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473
(2R)-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 125070933
2-[(2-fluorophenyl)methyl-[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194334
(2R)-2-[(2-fluorophenyl)methyl-[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-methylpropanamide
CID 100627375

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide (CID 46022588) is N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is XLLQJUCJMLYCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-16-7-11-20(12-8-16)25(15-18-5-3-4-6-22(18)23)29(27,28)21-13-9-19(10-14-21)24-17(2)26/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 46022588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).