N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide

C24H24FN3O4S — CID 47089062

IUPACN-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)c1
InChIInChI=1S/C24H24FN3O4S/c1-16-4-3-5-20(14-16)28(13-12-23(26)29)24(30)22-15-21(11-6-17(22)2)33(31,32)27-19-9-7-18(25)8-10-19/h3-11,14-15,27H,12-13H2,1-2H3,(H2,26,29)
InChIKeyMBVQHMVEUKGGAA-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.77
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide

N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide (PubChem CID 47089062) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
PubChem CID47089062
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)c1
InChIInChI=1S/C24H24FN3O4S/c1-16-4-3-5-20(14-16)28(13-12-23(26)29)24(30)22-15-21(11-6-17(22)2)33(31,32)27-19-9-7-18(25)8-10-19/h3-11,14-15,27H,12-13H2,1-2H3,(H2,26,29)
InChIKeyMBVQHMVEUKGGAA-UHFFFAOYSA-N
XLogP3.77
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide
CID 34494912
5-[(4-fluorophenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)-2-methylbenzamide
CID 43010418
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 38561904
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
CID 43004196
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
N-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119630221

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide (CID 47089062) is N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide is Cc1cccc(N(CCC(N)=O)C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide?
The InChIKey is MBVQHMVEUKGGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-16-4-3-5-20(14-16)28(13-12-23(26)29)24(30)22-15-21(11-6-17(22)2)33(31,32)27-19-9-7-18(25)8-10-19/h3-11,14-15,27H,12-13H2,1-2H3,(H2,26,29).
What are the key properties of N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide?
N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide has a molecular weight of 469.54 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 47089062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).