(2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone

C26H20N2OS — CID 53383656

IUPAC(2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone
SMILESNc1sc(Cc2ccccc2)cc1C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H20N2OS/c27-26-21(16-19(30-26)15-17-9-3-1-4-10-17)25(29)23-20-13-7-8-14-22(20)28-24(23)18-11-5-2-6-12-18/h1-14,16,28H,15,27H2
InChIKeyVKURQNXVGPFNOT-UHFFFAOYSA-N
MW408.53 g/mol
LogP6.30
Rot. Bonds5

About (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone

(2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone (PubChem CID 53383656) has the molecular formula C26H20N2OS and a molecular weight of 408.53 g/mol. Its IUPAC name is (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone
PubChem CID53383656
Molecular FormulaC26H20N2OS
Molecular Weight408.53 g/mol
Exact Mass408.13
IUPAC Name(2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone
SMILESNc1sc(Cc2ccccc2)cc1C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H20N2OS/c27-26-21(16-19(30-26)15-17-9-3-1-4-10-17)25(29)23-20-13-7-8-14-22(20)28-24(23)18-11-5-2-6-12-18/h1-14,16,28H,15,27H2
InChIKeyVKURQNXVGPFNOT-UHFFFAOYSA-N
XLogP6.30
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.53
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone (CID 53383656) is (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone is Nc1sc(Cc2ccccc2)cc1C(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone?
The InChIKey is VKURQNXVGPFNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2OS/c27-26-21(16-19(30-26)15-17-9-3-1-4-10-17)25(29)23-20-13-7-8-14-22(20)28-24(23)18-11-5-2-6-12-18/h1-14,16,28H,15,27H2.
What are the key properties of (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone?
(2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone has a molecular weight of 408.53 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-benzylthiophen-3-yl)-(2-phenyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 53383656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).