N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide

C22H21FN2O4S — CID 26561579

IUPACN-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)cc1
InChIInChI=1S/C22H21FN2O4S/c1-3-29-19-11-9-17(10-12-19)24-22(26)21-14-20(13-4-15(21)2)30(27,28)25-18-7-5-16(23)6-8-18/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyIKDUKURWDLCXNO-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.59
Rot. Bonds7

About N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide

N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 26561579) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
PubChem CID26561579
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)cc1
InChIInChI=1S/C22H21FN2O4S/c1-3-29-19-11-9-17(10-12-19)24-22(26)21-14-20(13-4-15(21)2)30(27,28)25-18-7-5-16(23)6-8-18/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyIKDUKURWDLCXNO-UHFFFAOYSA-N
XLogP4.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010401
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
N-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55348347
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-difluorobenzamide
CID 43030214
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
CID 86866408
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2348802
N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 38538539

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide (CID 26561579) is N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide is CCOc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is IKDUKURWDLCXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-3-29-19-11-9-17(10-12-19)24-22(26)21-14-20(13-4-15(21)2)30(27,28)25-18-7-5-16(23)6-8-18/h4-14,25H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 428.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 26561579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).