N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide

C18H20FN3O3S2 — CID 55336598

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1F
InChIInChI=1S/C18H20FN3O3S2/c1-5-22(6-2)27(24,25)16-9-13(7-8-15(16)19)17(23)21-18-14(10-20)11(3)12(4)26-18/h7-9H,5-6H2,1-4H3,(H,21,23)
InChIKeyFMJBXGDAUBNSCU-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.66
Rot. Bonds6

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide (PubChem CID 55336598) has the molecular formula C18H20FN3O3S2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
PubChem CID55336598
Molecular FormulaC18H20FN3O3S2
Molecular Weight409.51 g/mol
Exact Mass409.09
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1F
InChIInChI=1S/C18H20FN3O3S2/c1-5-22(6-2)27(24,25)16-9-13(7-8-15(16)19)17(23)21-18-14(10-20)11(3)12(4)26-18/h7-9H,5-6H2,1-4H3,(H,21,23)
InChIKeyFMJBXGDAUBNSCU-UHFFFAOYSA-N
XLogP3.66
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 17444399
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide
CID 43981375
N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 49182836
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide
CID 115745600
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
3-amino-4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 61112822
4-(bromomethyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 102850904
(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 55336620
2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56501828
4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
CID 8914920

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide (CID 55336598) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1F.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The InChIKey is FMJBXGDAUBNSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S2/c1-5-22(6-2)27(24,25)16-9-13(7-8-15(16)19)17(23)21-18-14(10-20)11(3)12(4)26-18/h7-9H,5-6H2,1-4H3,(H,21,23).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide has a molecular weight of 409.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 55336598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).