N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

C24H25FN2O5S — CID 26775783

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1OC
InChIInChI=1S/C24H25FN2O5S/c1-16-8-10-18(33(29,30)27-21-7-5-4-6-20(21)25)15-19(16)24(28)26-13-12-17-9-11-22(31-2)23(14-17)32-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28)
InChIKeyGQSRTAAZGIQIRO-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.92
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 26775783) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
PubChem CID26775783
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1OC
InChIInChI=1S/C24H25FN2O5S/c1-16-8-10-18(33(29,30)27-21-7-5-4-6-20(21)25)15-19(16)24(28)26-13-12-17-9-11-22(31-2)23(14-17)32-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28)
InChIKeyGQSRTAAZGIQIRO-UHFFFAOYSA-N
XLogP3.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119502214
5-[(2-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 4781193
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502213
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31166045
2-methoxy-5-[(2-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 27261659

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide (CID 26775783) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide is COc1ccc(CCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is GQSRTAAZGIQIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-16-8-10-18(33(29,30)27-21-7-5-4-6-20(21)25)15-19(16)24(28)26-13-12-17-9-11-22(31-2)23(14-17)32-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 472.54 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 26775783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).