3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide

C26H20N4O2S — CID 44523948

IUPAC3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1
InChIInChI=1S/C26H20N4O2S/c1-16(31)27-20-8-5-7-18(13-20)26(32)28-21-9-4-6-17(12-21)19-14-24(33-15-19)25-29-22-10-2-3-11-23(22)30-25/h2-15H,1H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyQCROHOPYWAXTJR-UHFFFAOYSA-N
MW452.54 g/mol
LogP6.17
Rot. Bonds5

About 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide

3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide (PubChem CID 44523948) has the molecular formula C26H20N4O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide
PubChem CID44523948
Molecular FormulaC26H20N4O2S
Molecular Weight452.54 g/mol
Exact Mass452.13
IUPAC Name3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1
InChIInChI=1S/C26H20N4O2S/c1-16(31)27-20-8-5-7-18(13-20)26(32)28-21-9-4-6-17(12-21)19-14-24(33-15-19)25-29-22-10-2-3-11-23(22)30-25/h2-15H,1H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyQCROHOPYWAXTJR-UHFFFAOYSA-N
XLogP6.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.54
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide (CID 44523948) is 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1.
What is the InChIKey of 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide?
The InChIKey is QCROHOPYWAXTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2S/c1-16(31)27-20-8-5-7-18(13-20)26(32)28-21-9-4-6-17(12-21)19-14-24(33-15-19)25-29-22-10-2-3-11-23(22)30-25/h2-15H,1H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide?
3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide has a molecular weight of 452.54 g/mol, XLogP of 6.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide is sourced from PubChem (CID 44523948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).