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

C20H18FNO3S2 — CID 10525223

IUPACN-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H18FNO3S2/c1-3-22-20(23)18-12-17(13-6-10-16(11-7-13)27(2,24)25)19(26-18)14-4-8-15(21)9-5-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyDOCSBFVCSMVEEZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.37
Rot. Bonds5

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

N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 10525223) has the molecular formula C20H18FNO3S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID10525223
Molecular FormulaC20H18FNO3S2
Molecular Weight403.50 g/mol
Exact Mass403.07
IUPAC NameN-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H18FNO3S2/c1-3-22-20(23)18-12-17(13-6-10-16(11-7-13)27(2,24)25)19(26-18)14-4-8-15(21)9-5-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyDOCSBFVCSMVEEZ-UHFFFAOYSA-N
XLogP4.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide (CID 10525223) is N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide is CCNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is DOCSBFVCSMVEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3S2/c1-3-22-20(23)18-12-17(13-6-10-16(11-7-13)27(2,24)25)19(26-18)14-4-8-15(21)9-5-14/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10525223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).