N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide

C23H21FN4O2S2 — CID 52948905

IUPACN-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide
SMILESCOCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H21FN4O2S2/c1-30-12-11-28-21(20(27-23(28)31-2)15-5-7-17(24)8-6-15)16-9-10-25-19(14-16)26-22(29)18-4-3-13-32-18/h3-10,13-14H,11-12H2,1-2H3,(H,25,26,29)
InChIKeyIKBFFXMGZXENJE-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.43
Rot. Bonds8

About N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide

N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 52948905) has the molecular formula C23H21FN4O2S2 and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide
PubChem CID52948905
Molecular FormulaC23H21FN4O2S2
Molecular Weight468.58 g/mol
Exact Mass468.11
IUPAC NameN-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide
SMILESCOCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H21FN4O2S2/c1-30-12-11-28-21(20(27-23(28)31-2)15-5-7-17(24)8-6-15)16-9-10-25-19(14-16)26-22(29)18-4-3-13-32-18/h3-10,13-14H,11-12H2,1-2H3,(H,25,26,29)
InChIKeyIKBFFXMGZXENJE-UHFFFAOYSA-N
XLogP5.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]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

Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
N-[7-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 843190
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide
CID 6462583
N-(4-(5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanyl-3H-imidazol-4-yl)pyridin-2-yl)acetamide
CID 11304134
4-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 57399216
N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)thiophene-2-carboxamide
CID 752234
N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
CID 1442508
6-(4-fluorophenyl)-3-methyl-N-(3-morpholinopropyl)imidazo[2,1-b]thiazole-2-carboxamide
CID 3237977
6-(4-fluorophenyl)-3-methyl-N-(6-methylpyridin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3240065
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-2-carboxamide
CID 7080190

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide (CID 52948905) is N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide is COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is IKBFFXMGZXENJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S2/c1-30-12-11-28-21(20(27-23(28)31-2)15-5-7-17(24)8-6-15)16-9-10-25-19(14-16)26-22(29)18-4-3-13-32-18/h3-10,13-14H,11-12H2,1-2H3,(H,25,26,29).
What are the key properties of N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide?
N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 52948905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).