N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide

C19H22FN3O4S — CID 55903058

IUPACN-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C19H22FN3O4S/c1-4-23(5-2)28(26,27)15-10-11-17(20)16(12-15)19(25)22(3)14-8-6-13(7-9-14)18(21)24/h6-12H,4-5H2,1-3H3,(H2,21,24)
InChIKeyJLBTYEFHNRXFIF-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.23
Rot. Bonds7

About N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide

N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide (PubChem CID 55903058) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
PubChem CID55903058
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C19H22FN3O4S/c1-4-23(5-2)28(26,27)15-10-11-17(20)16(12-15)19(25)22(3)14-8-6-13(7-9-14)18(21)24/h6-12H,4-5H2,1-3H3,(H2,21,24)
InChIKeyJLBTYEFHNRXFIF-UHFFFAOYSA-N
XLogP2.23
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide
CID 55903574
5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 29331887
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
CID 35362085
5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 86933981
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
(4-methoxycarbonylphenyl) 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 8961276
5-[ethyl(2-methylpropyl)sulfamoyl]-2-fluorobenzoic acid
CID 43273627
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide?
The IUPAC name of N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide (CID 55903058) is N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide?
The InChIKey is JLBTYEFHNRXFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-4-23(5-2)28(26,27)15-10-11-17(20)16(12-15)19(25)22(3)14-8-6-13(7-9-14)18(21)24/h6-12H,4-5H2,1-3H3,(H2,21,24).
What are the key properties of N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide?
N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide has a molecular weight of 407.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 55903058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).