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

C18H14FNO3S2 — CID 10619477

IUPAC5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc(C(N)=O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO3S2/c1-25(22,23)14-8-4-11(5-9-14)15-10-16(18(20)21)24-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3,(H2,20,21)
InChIKeyPTHXLQYEBOIPJZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.72
Rot. Bonds4

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

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 10619477) has the molecular formula C18H14FNO3S2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID10619477
Molecular FormulaC18H14FNO3S2
Molecular Weight375.45 g/mol
Exact Mass375.04
IUPAC Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc(C(N)=O)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO3S2/c1-25(22,23)14-8-4-11(5-9-14)15-10-16(18(20)21)24-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3,(H2,20,21)
InChIKeyPTHXLQYEBOIPJZ-UHFFFAOYSA-N
XLogP3.72
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-(4-(2,4-difluorostyryl)phenylsulfonyl)benzamide
CID 21099433
(E)-3-(4-(2,4-difluorostyryl)phenylsulfonyl)benzamide
CID 21099486
(E)-4-(4-(2,4-difluorostyryl)phenylsulfonyl)benzamide
CID 21099505
4-[5-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]thiophen-2-yl]benzamide
CID 89665057
N'-(2-fluorophenyl)sulfonyl-3-thiophen-2-ylbenzohydrazide
CID 124132176
N'-(benzenesulfonyl)-3-thiophen-2-ylbenzohydrazide
CID 124132186
N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide
CID 135298548
N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
CID 135298604
4-Tert-butyl-N-[2-(4-fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]benzamide
CID 16032156
N-[2-[2-[4-(2-phenylethylsulfanylmethyl)phenyl]phenyl]ethylsulfonyl]thiophene-2-carboxamide
CID 44320405
4-[(4-Fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide
CID 20842956
N-(thiophene-2-sulfonyl)benzamide
CID 738706

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide (CID 10619477) is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide is CS(=O)(=O)c1ccc(-c2cc(C(N)=O)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is PTHXLQYEBOIPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S2/c1-25(22,23)14-8-4-11(5-9-14)15-10-16(18(20)21)24-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3,(H2,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10619477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).