3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

C23H28F3N3O4S — CID 55785408

IUPAC3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1
InChIInChI=1S/C23H28F3N3O4S/c1-4-29(5-2)34(32,33)19-11-7-17(8-12-19)9-13-21(30)28-20-14-18(10-6-16(20)3)22(31)27-15-23(24,25)26/h6-8,10-12,14H,4-5,9,13,15H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyDXTKOOHGFWTBPP-UHFFFAOYSA-N
MW499.56 g/mol
LogP3.89
Rot. Bonds10

About 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55785408) has the molecular formula C23H28F3N3O4S and a molecular weight of 499.56 g/mol. Its IUPAC name is 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55785408
Molecular FormulaC23H28F3N3O4S
Molecular Weight499.56 g/mol
Exact Mass499.18
IUPAC Name3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1
InChIInChI=1S/C23H28F3N3O4S/c1-4-29(5-2)34(32,33)19-11-7-17(8-12-19)9-13-21(30)28-20-14-18(10-6-16(20)3)22(31)27-15-23(24,25)26/h6-8,10-12,14H,4-5,9,13,15H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyDXTKOOHGFWTBPP-UHFFFAOYSA-N
XLogP3.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-tert-butylphenyl)propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55784548
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 60575015
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110618310
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 42059780
4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 35020823

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 55785408) is 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)cc1.
What is the InChIKey of 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DXTKOOHGFWTBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O4S/c1-4-29(5-2)34(32,33)19-11-7-17(8-12-19)9-13-21(30)28-20-14-18(10-6-16(20)3)22(31)27-15-23(24,25)26/h6-8,10-12,14H,4-5,9,13,15H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 499.56 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55785408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).