N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide

C20H26FN3O3S — CID 60544335

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N(CC)C(C)C)cc2)c1
InChIInChI=1S/C20H26FN3O3S/c1-5-22-28(26,27)17-11-12-19(21)18(13-17)20(25)23-15-7-9-16(10-8-15)24(6-2)14(3)4/h7-14,22H,5-6H2,1-4H3,(H,23,25)
InChIKeyNBSGNQCSBUBDRD-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.61
Rot. Bonds8

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide (PubChem CID 60544335) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
PubChem CID60544335
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N(CC)C(C)C)cc2)c1
InChIInChI=1S/C20H26FN3O3S/c1-5-22-28(26,27)17-11-12-19(21)18(13-17)20(25)23-15-7-9-16(10-8-15)24(6-2)14(3)4/h7-14,22H,5-6H2,1-4H3,(H,23,25)
InChIKeyNBSGNQCSBUBDRD-UHFFFAOYSA-N
XLogP3.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 55991390
N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 48532285
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
CID 4085582
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 90259140
5-(diethylsulfamoyl)-2-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289053
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43054134
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
(2R)-2-[[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylamino]propanoic acid
CID 76901469
2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 5056641

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide (CID 60544335) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N(CC)C(C)C)cc2)c1.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is NBSGNQCSBUBDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-5-22-28(26,27)17-11-12-19(21)18(13-17)20(25)23-15-7-9-16(10-8-15)24(6-2)14(3)4/h7-14,22H,5-6H2,1-4H3,(H,23,25).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 407.51 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 60544335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).