N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide

C14H11NOS2 — CID 1247020

IUPACN-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide
SMILESO=C(NCc1cccs1)c1csc2ccccc12
InChIInChI=1S/C14H11NOS2/c16-14(15-8-10-4-3-7-17-10)12-9-18-13-6-2-1-5-11(12)13/h1-7,9H,8H2,(H,15,16)
InChIKeyRERRMONVCJLDAU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.89
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide

N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide (PubChem CID 1247020) has the molecular formula C14H11NOS2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide
PubChem CID1247020
Molecular FormulaC14H11NOS2
Molecular Weight273.38 g/mol
Exact Mass273.03
IUPAC NameN-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide
SMILESO=C(NCc1cccs1)c1csc2ccccc12
InChIInChI=1S/C14H11NOS2/c16-14(15-8-10-4-3-7-17-10)12-9-18-13-6-2-1-5-11(12)13/h1-7,9H,8H2,(H,15,16)
InChIKeyRERRMONVCJLDAU-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide (CID 1247020) is N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide is O=C(NCc1cccs1)c1csc2ccccc12.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide?
The InChIKey is RERRMONVCJLDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS2/c16-14(15-8-10-4-3-7-17-10)12-9-18-13-6-2-1-5-11(12)13/h1-7,9H,8H2,(H,15,16).
What are the key properties of N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide?
N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1247020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).