5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide

C19H17FN2O3S2 — CID 57134484

IUPAC5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1c(C(N)=O)sc(-c2ccc(F)cc2)c1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H17FN2O3S2/c1-11-16(12-5-9-15(10-6-12)22-27(2,24)25)18(26-17(11)19(21)23)13-3-7-14(20)8-4-13/h3-10,22H,1-2H3,(H2,21,23)
InChIKeyHZOXAFXQOPOLAI-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.00
Rot. Bonds5

About 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide

5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 57134484) has the molecular formula C19H17FN2O3S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID57134484
Molecular FormulaC19H17FN2O3S2
Molecular Weight404.49 g/mol
Exact Mass404.07
IUPAC Name5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1c(C(N)=O)sc(-c2ccc(F)cc2)c1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H17FN2O3S2/c1-11-16(12-5-9-15(10-6-12)22-27(2,24)25)18(26-17(11)19(21)23)13-3-7-14(20)8-4-13/h3-10,22H,1-2H3,(H2,21,23)
InChIKeyHZOXAFXQOPOLAI-UHFFFAOYSA-N
XLogP4.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide (CID 57134484) is 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide is Cc1c(C(N)=O)sc(-c2ccc(F)cc2)c1-c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is HZOXAFXQOPOLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S2/c1-11-16(12-5-9-15(10-6-12)22-27(2,24)25)18(26-17(11)19(21)23)13-3-7-14(20)8-4-13/h3-10,22H,1-2H3,(H2,21,23).
What are the key properties of 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide?
5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 57134484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).