3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

C24H26FN3O3S2 — CID 143785127

IUPAC3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)c1cccc(F)c1
InChIInChI=1S/C24H26FN3O3S2/c1-15-13-16(2)22(28-8-10-31-11-9-28)17(3)21(15)26-24(29)23-20(7-12-32-23)27-33(30)19-6-4-5-18(25)14-19/h4-7,12-14,27H,8-11H2,1-3H3,(H,26,29)
InChIKeyFFJHOCWDOYVNDQ-UHFFFAOYSA-N
MW487.62 g/mol
LogP5.04
Rot. Bonds6

About 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide

3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 143785127) has the molecular formula C24H26FN3O3S2 and a molecular weight of 487.62 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID143785127
Molecular FormulaC24H26FN3O3S2
Molecular Weight487.62 g/mol
Exact Mass487.14
IUPAC Name3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)c1cccc(F)c1
InChIInChI=1S/C24H26FN3O3S2/c1-15-13-16(2)22(28-8-10-31-11-9-28)17(3)21(15)26-24(29)23-20(7-12-32-23)27-33(30)19-6-4-5-18(25)14-19/h4-7,12-14,27H,8-11H2,1-3H3,(H,26,29)
InChIKeyFFJHOCWDOYVNDQ-UHFFFAOYSA-N
XLogP5.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.62
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-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 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 143785127) is 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is Cc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is FFJHOCWDOYVNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S2/c1-15-13-16(2)22(28-8-10-31-11-9-28)17(3)21(15)26-24(29)23-20(7-12-32-23)27-33(30)19-6-4-5-18(25)14-19/h4-7,12-14,27H,8-11H2,1-3H3,(H,26,29).
What are the key properties of 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide?
3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 487.62 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfinylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 143785127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).