4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide

C15H17FN2O3S2 — CID 20842955

IUPAC4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN2O3S2/c1-2-7-17-15(19)14-8-13(10-22-14)23(20,21)18-9-11-3-5-12(16)6-4-11/h3-6,8,10,18H,2,7,9H2,1H3,(H,17,19)
InChIKeyGLRRWYPQMHLBRI-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.51
Rot. Bonds7

About 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide

4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide (PubChem CID 20842955) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide
PubChem CID20842955
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC Name4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN2O3S2/c1-2-7-17-15(19)14-8-13(10-22-14)23(20,21)18-9-11-3-5-12(16)6-4-11/h3-6,8,10,18H,2,7,9H2,1H3,(H,17,19)
InChIKeyGLRRWYPQMHLBRI-UHFFFAOYSA-N
XLogP2.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 20842957
N-(3-butylsulfanylpropyl)-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 20968650
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide
CID 6504058
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 42580746
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide (CID 20842955) is 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cs1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide?
The InChIKey is GLRRWYPQMHLBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c1-2-7-17-15(19)14-8-13(10-22-14)23(20,21)18-9-11-3-5-12(16)6-4-11/h3-6,8,10,18H,2,7,9H2,1H3,(H,17,19).
What are the key properties of 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide?
4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 20842955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).