3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide

C14H15FN2O3S2 — CID 2815721

IUPAC3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(F)cc2)c1N
InChIInChI=1S/C14H15FN2O3S2/c1-8(2)22(19,20)11-7-21-13(12(11)16)14(18)17-10-5-3-9(15)4-6-10/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyVERYOEOUKLEWHD-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.90
Rot. Bonds4

About 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide

3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide (PubChem CID 2815721) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
PubChem CID2815721
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC Name3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(F)cc2)c1N
InChIInChI=1S/C14H15FN2O3S2/c1-8(2)22(19,20)11-7-21-13(12(11)16)14(18)17-10-5-3-9(15)4-6-10/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyVERYOEOUKLEWHD-UHFFFAOYSA-N
XLogP2.90
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-Difluorophenyl)-2-thiophenecarboxamide
CID 762625
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
N-(2-Fluoro-4-Sulfamoylphenyl)-2-(Thiophen-2-Yl)acetamide
CID 44520897
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N~1~-(2-fluorophenyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3244623
N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 307230
N-(4-fluorophenyl)-4-(piperidin-1-ylsulfonyl)thiophene-2-carboxamide
CID 1252955
N-(2-fluorophenyl)thiophene-2-carboxamide
CID 532897
N-[4-(diethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 730596
N-(2-fluorophenyl)-4-(1-piperidinylsulfonyl)-2-thiophenecarboxamide
CID 1310286

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide (CID 2815721) is 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide is CC(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(F)cc2)c1N.
What is the InChIKey of 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The InChIKey is VERYOEOUKLEWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c1-8(2)22(19,20)11-7-21-13(12(11)16)14(18)17-10-5-3-9(15)4-6-10/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluorophenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 2815721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).