2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide

C18H22FN3O4S2 — CID 56501828

IUPAC2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1
InChIInChI=1S/C18H22FN3O4S2/c1-5-22(6-2)28(25,26)12-7-8-14(19)13(9-12)17(24)21-18-15(16(20)23)10(3)11(4)27-18/h7-9H,5-6H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyNFFHWEZGTCKDQD-UHFFFAOYSA-N
MW427.52 g/mol
LogP2.89
Rot. Bonds7

About 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 56501828) has the molecular formula C18H22FN3O4S2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID56501828
Molecular FormulaC18H22FN3O4S2
Molecular Weight427.52 g/mol
Exact Mass427.10
IUPAC Name2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1
InChIInChI=1S/C18H22FN3O4S2/c1-5-22(6-2)28(25,26)12-7-8-14(19)13(9-12)17(24)21-18-15(16(20)23)10(3)11(4)27-18/h7-9H,5-6H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyNFFHWEZGTCKDQD-UHFFFAOYSA-N
XLogP2.89
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 45005342
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 4766562
5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 26218803
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55336598
ethyl 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 759965

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 56501828) is 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1.
What is the InChIKey of 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is NFFHWEZGTCKDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S2/c1-5-22(6-2)28(25,26)12-7-8-14(19)13(9-12)17(24)21-18-15(16(20)23)10(3)11(4)27-18/h7-9H,5-6H2,1-4H3,(H2,20,23)(H,21,24).
What are the key properties of 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 56501828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).