5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C22H23F2N3O3S — CID 59526082

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(O)Cc1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1
InChIInChI=1S/C22H23F2N3O3S/c1-11(28)7-13-5-4-6-18(26-13)27-21-14(20(25)29)10-17(31-21)19-15(23)8-12(9-16(19)24)22(2,3)30/h4-6,8-11,28,30H,7H2,1-3H3,(H2,25,29)(H,26,27)
InChIKeyOIUMVSBILBFURI-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.08
Rot. Bonds7

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59526082) has the molecular formula C22H23F2N3O3S and a molecular weight of 447.51 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59526082
Molecular FormulaC22H23F2N3O3S
Molecular Weight447.51 g/mol
Exact Mass447.14
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(O)Cc1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1
InChIInChI=1S/C22H23F2N3O3S/c1-11(28)7-13-5-4-6-18(26-13)27-21-14(20(25)29)10-17(31-21)19-15(23)8-12(9-16(19)24)22(2,3)30/h4-6,8-11,28,30H,7H2,1-3H3,(H2,25,29)(H,26,27)
InChIKeyOIUMVSBILBFURI-UHFFFAOYSA-N
XLogP4.08
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-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

5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-hydroxy-2-methylpropoxy)methyl]pyridin-2-yl}amino)thiophene-3-carboxamide
CID 25110598
5-[4-(2-Hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25124143
5-(2,4-Difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525628
5-(4-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525688
5-(2-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525717
5-(2,3-Difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525760
2-[(6-Methylpyridin-2-yl)amino]-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 59526007
5-(3-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59526068
2-[[[(6-Methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
CID 990429
5-[2,6-Difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123163
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-phenyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123166
6-({3-(Aminocarbonyl)-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridine-2-carboxylic acid
CID 25123167

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59526082) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide is CC(O)Cc1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is OIUMVSBILBFURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3S/c1-11(28)7-13-5-4-6-18(26-13)27-21-14(20(25)29)10-17(31-21)19-15(23)8-12(9-16(19)24)22(2,3)30/h4-6,8-11,28,30H,7H2,1-3H3,(H2,25,29)(H,26,27).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).