N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide

C16H19FN2O3S2 — CID 18140594

IUPACN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C16H19FN2O3S2/c1-3-19(4-2)24(21,22)15-9-8-14(23-15)11-18-16(20)12-6-5-7-13(17)10-12/h5-10H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyPGXFAKVANREULP-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.85
Rot. Bonds7

About N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide (PubChem CID 18140594) has the molecular formula C16H19FN2O3S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
PubChem CID18140594
Molecular FormulaC16H19FN2O3S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C16H19FN2O3S2/c1-3-19(4-2)24(21,22)15-9-8-14(23-15)11-18-16(20)12-6-5-7-13(17)10-12/h5-10H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyPGXFAKVANREULP-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
CID 24598621
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 43048057
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 18284337
1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 24612971
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962122
3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131635
N-[[5-[benzyl(propan-2-yl)sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 2813898
1-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 24613018

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide (CID 18140594) is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)s1.
What is the InChIKey of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide?
The InChIKey is PGXFAKVANREULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S2/c1-3-19(4-2)24(21,22)15-9-8-14(23-15)11-18-16(20)12-6-5-7-13(17)10-12/h5-10H,3-4,11H2,1-2H3,(H,18,20).
What are the key properties of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide?
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide has a molecular weight of 370.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 18140594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).