5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide

C19H16FNO3S2 — CID 10644056

IUPAC5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO3S2/c1-21-19(22)17-11-16(12-5-9-15(10-6-12)26(2,23)24)18(25-17)13-3-7-14(20)8-4-13/h3-11H,1-2H3,(H,21,22)
InChIKeyZCADCVPYOANUER-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.98
Rot. Bonds4

About 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide

5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 10644056) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID10644056
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC Name5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO3S2/c1-21-19(22)17-11-16(12-5-9-15(10-6-12)26(2,23)24)18(25-17)13-3-7-14(20)8-4-13/h3-11H,1-2H3,(H,21,22)
InChIKeyZCADCVPYOANUER-UHFFFAOYSA-N
XLogP3.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide (CID 10644056) is 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide is CNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is ZCADCVPYOANUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c1-21-19(22)17-11-16(12-5-9-15(10-6-12)26(2,23)24)18(25-17)13-3-7-14(20)8-4-13/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10644056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).