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

C21H18N2OS — CID 53383655

IUPAC(2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1cc(Cc2ccccc2)sc1N
InChIInChI=1S/C21H18N2OS/c1-13-19(16-9-5-6-10-18(16)23-13)20(24)17-12-15(25-21(17)22)11-14-7-3-2-4-8-14/h2-10,12,23H,11,22H2,1H3
InChIKeyMSQZEXRLDYUIGY-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.94
Rot. Bonds4

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

(2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 53383655) has the molecular formula C21H18N2OS and a molecular weight of 346.45 g/mol. Its IUPAC name is (2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID53383655
Molecular FormulaC21H18N2OS
Molecular Weight346.45 g/mol
Exact Mass346.11
IUPAC Name(2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1cc(Cc2ccccc2)sc1N
InChIInChI=1S/C21H18N2OS/c1-13-19(16-9-5-6-10-18(16)23-13)20(24)17-12-15(25-21(17)22)11-14-7-3-2-4-8-14/h2-10,12,23H,11,22H2,1H3
InChIKeyMSQZEXRLDYUIGY-UHFFFAOYSA-N
XLogP4.94
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.94
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-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone (CID 53383655) is (2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1cc(Cc2ccccc2)sc1N.
What is the InChIKey of (2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is MSQZEXRLDYUIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-13-19(16-9-5-6-10-18(16)23-13)20(24)17-12-15(25-21(17)22)11-14-7-3-2-4-8-14/h2-10,12,23H,11,22H2,1H3.
What are the key properties of (2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone?
(2-amino-5-benzylthiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 346.45 g/mol, XLogP of 4.94, 4 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-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 53383655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).