N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C14H15NOS2 — CID 2675106

IUPACN-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H15NOS2/c16-14(15-9-11-5-3-7-17-11)13-8-10-4-1-2-6-12(10)18-13/h3,5,7-8H,1-2,4,6,9H2,(H,15,16)
InChIKeyDMGLLAVFSIJVKS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 2675106) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID2675106
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC NameN-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H15NOS2/c16-14(15-9-11-5-3-7-17-11)13-8-10-4-1-2-6-12(10)18-13/h3,5,7-8H,1-2,4,6,9H2,(H,15,16)
InChIKeyDMGLLAVFSIJVKS-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
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)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 2675106) is N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is O=C(NCc1cccs1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is DMGLLAVFSIJVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c16-14(15-9-11-5-3-7-17-11)13-8-10-4-1-2-6-12(10)18-13/h3,5,7-8H,1-2,4,6,9H2,(H,15,16).
What are the key properties of N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.62, 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)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2675106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).