N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide

C20H17N3OS — CID 46275360

IUPACN-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccccn1
InChIInChI=1S/C20H17N3OS/c24-20(22-13-16-7-3-4-10-21-16)14-23-17-8-2-1-6-15(17)12-18(23)19-9-5-11-25-19/h1-12H,13-14H2,(H,22,24)
InChIKeyHTRIQCMSXMSDKF-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.08
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide

N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide (PubChem CID 46275360) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
PubChem CID46275360
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccccn1
InChIInChI=1S/C20H17N3OS/c24-20(22-13-16-7-3-4-10-21-16)14-23-17-8-2-1-6-15(17)12-18(23)19-9-5-11-25-19/h1-12H,13-14H2,(H,22,24)
InChIKeyHTRIQCMSXMSDKF-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide (CID 46275360) is N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide is O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The InChIKey is HTRIQCMSXMSDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-20(22-13-16-7-3-4-10-21-16)14-23-17-8-2-1-6-15(17)12-18(23)19-9-5-11-25-19/h1-12H,13-14H2,(H,22,24).
What are the key properties of N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide is sourced from PubChem (CID 46275360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).