N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide

C27H22N4O2S — CID 44523945

IUPACN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)Cc1ccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1
InChIInChI=1S/C27H22N4O2S/c1-28-25(32)13-17-9-11-18(12-10-17)27(33)29-21-6-4-5-19(14-21)20-15-24(34-16-20)26-30-22-7-2-3-8-23(22)31-26/h2-12,14-16H,13H2,1H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyOEUMFGLQKSJCRD-UHFFFAOYSA-N
MW466.57 g/mol
LogP5.50
Rot. Bonds6

About N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide

N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 44523945) has the molecular formula C27H22N4O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID44523945
Molecular FormulaC27H22N4O2S
Molecular Weight466.57 g/mol
Exact Mass466.15
IUPAC NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)Cc1ccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1
InChIInChI=1S/C27H22N4O2S/c1-28-25(32)13-17-9-11-18(12-10-17)27(33)29-21-6-4-5-19(14-21)20-15-24(34-16-20)26-30-22-7-2-3-8-23(22)31-26/h2-12,14-16H,13H2,1H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyOEUMFGLQKSJCRD-UHFFFAOYSA-N
XLogP5.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide 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 N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide (CID 44523945) is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)Cc1ccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1.
What is the InChIKey of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is OEUMFGLQKSJCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2S/c1-28-25(32)13-17-9-11-18(12-10-17)27(33)29-21-6-4-5-19(14-21)20-15-24(34-16-20)26-30-22-7-2-3-8-23(22)31-26/h2-12,14-16H,13H2,1H3,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide?
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 466.57 g/mol, XLogP of 5.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 44523945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).