N-(1-benzothiophen-2-ylmethyl)formamide

C10H9NOS — CID 23498750

IUPACN-(1-benzothiophen-2-ylmethyl)formamide
SMILESO=CNCc1cc2ccccc2s1
InChIInChI=1S/C10H9NOS/c12-7-11-6-9-5-8-3-1-2-4-10(8)13-9/h1-5,7H,6H2,(H,11,12)
InChIKeyGVUYQQCVNMJBCX-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.15
Rot. Bonds3

About N-(1-benzothiophen-2-ylmethyl)formamide

N-(1-benzothiophen-2-ylmethyl)formamide (PubChem CID 23498750) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is N-(1-benzothiophen-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-ylmethyl)formamide
PubChem CID23498750
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC NameN-(1-benzothiophen-2-ylmethyl)formamide
SMILESO=CNCc1cc2ccccc2s1
InChIInChI=1S/C10H9NOS/c12-7-11-6-9-5-8-3-1-2-4-10(8)13-9/h1-5,7H,6H2,(H,11,12)
InChIKeyGVUYQQCVNMJBCX-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-ylmethyl)formamide?
The IUPAC name of N-(1-benzothiophen-2-ylmethyl)formamide (CID 23498750) is N-(1-benzothiophen-2-ylmethyl)formamide.
What is the SMILES notation for N-(1-benzothiophen-2-ylmethyl)formamide?
The canonical SMILES for N-(1-benzothiophen-2-ylmethyl)formamide is O=CNCc1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-ylmethyl)formamide?
The InChIKey is GVUYQQCVNMJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-7-11-6-9-5-8-3-1-2-4-10(8)13-9/h1-5,7H,6H2,(H,11,12).
What are the key properties of N-(1-benzothiophen-2-ylmethyl)formamide?
N-(1-benzothiophen-2-ylmethyl)formamide has a molecular weight of 191.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-ylmethyl)formamide is sourced from PubChem (CID 23498750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).