3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide

C25H23ClF2N4O3S — CID 24829696

IUPAC3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-n2cnc3cc(F)c(F)cc32)sc1C(N)=O)c1cccc(OC2CCNCC2)c1Cl
InChIInChI=1S/C25H23ClF2N4O3S/c1-13(15-3-2-4-20(23(15)26)35-14-5-7-30-8-6-14)34-21-11-22(36-24(21)25(29)33)32-12-31-18-9-16(27)17(28)10-19(18)32/h2-4,9-14,30H,5-8H2,1H3,(H2,29,33)/t13-/m1/s1
InChIKeyVSWKRUHLTHEBMX-CYBMUJFWSA-N
MW533.00 g/mol
LogP5.39
Rot. Bonds7

About 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide

3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 24829696) has the molecular formula C25H23ClF2N4O3S and a molecular weight of 533.00 g/mol. Its IUPAC name is 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID24829696
Molecular FormulaC25H23ClF2N4O3S
Molecular Weight533.00 g/mol
Exact Mass532.11
IUPAC Name3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide
SMILESC[C@@H](Oc1cc(-n2cnc3cc(F)c(F)cc32)sc1C(N)=O)c1cccc(OC2CCNCC2)c1Cl
InChIInChI=1S/C25H23ClF2N4O3S/c1-13(15-3-2-4-20(23(15)26)35-14-5-7-30-8-6-14)34-21-11-22(36-24(21)25(29)33)32-12-31-18-9-16(27)17(28)10-19(18)32/h2-4,9-14,30H,5-8H2,1H3,(H2,29,33)/t13-/m1/s1
InChIKeyVSWKRUHLTHEBMX-CYBMUJFWSA-N
XLogP5.39
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.00
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)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-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide (CID 24829696) is 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide is C[C@@H](Oc1cc(-n2cnc3cc(F)c(F)cc32)sc1C(N)=O)c1cccc(OC2CCNCC2)c1Cl.
What is the InChIKey of 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is VSWKRUHLTHEBMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H23ClF2N4O3S/c1-13(15-3-2-4-20(23(15)26)35-14-5-7-30-8-6-14)34-21-11-22(36-24(21)25(29)33)32-12-31-18-9-16(27)17(28)10-19(18)32/h2-4,9-14,30H,5-8H2,1H3,(H2,29,33)/t13-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide?
3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 533.00 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-difluorobenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24829696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).