N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C24H20N4O2S2 — CID 55542728

IUPACN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
InChIInChI=1S/C24H20N4O2S2/c29-20(12-14-13-31-23(25-14)18-9-5-11-30-18)28-24-21(15-6-1-4-10-19(15)32-24)22-26-16-7-2-3-8-17(16)27-22/h2-3,5,7-9,11,13H,1,4,6,10,12H2,(H,26,27)(H,28,29)
InChIKeyQZAXOJWCISQMOI-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.07
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55542728) has the molecular formula C24H20N4O2S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55542728
Molecular FormulaC24H20N4O2S2
Molecular Weight460.58 g/mol
Exact Mass460.10
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
InChIInChI=1S/C24H20N4O2S2/c29-20(12-14-13-31-23(25-14)18-9-5-11-30-18)28-24-21(15-6-1-4-10-19(15)32-24)22-26-16-7-2-3-8-17(16)27-22/h2-3,5,7-9,11,13H,1,4,6,10,12H2,(H,26,27)(H,28,29)
InChIKeyQZAXOJWCISQMOI-UHFFFAOYSA-N
XLogP6.07
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 55542728) is N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccco2)n1)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is QZAXOJWCISQMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S2/c29-20(12-14-13-31-23(25-14)18-9-5-11-30-18)28-24-21(15-6-1-4-10-19(15)32-24)22-26-16-7-2-3-8-17(16)27-22/h2-3,5,7-9,11,13H,1,4,6,10,12H2,(H,26,27)(H,28,29).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 460.58 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55542728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).