N-[1-(2-benzothiophen-1-yl)ethyl]formamide

C11H11NOS — CID 173295255

IUPACN-[1-(2-benzothiophen-1-yl)ethyl]formamide
SMILESCC(NC=O)c1scc2ccccc12
InChIInChI=1S/C11H11NOS/c1-8(12-7-13)11-10-5-3-2-4-9(10)6-14-11/h2-8H,1H3,(H,12,13)
InChIKeyPDGWWOJEEVQBTF-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.71
Rot. Bonds3

About N-[1-(2-benzothiophen-1-yl)ethyl]formamide

N-[1-(2-benzothiophen-1-yl)ethyl]formamide (PubChem CID 173295255) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[1-(2-benzothiophen-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-(2-benzothiophen-1-yl)ethyl]formamide
PubChem CID173295255
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC NameN-[1-(2-benzothiophen-1-yl)ethyl]formamide
SMILESCC(NC=O)c1scc2ccccc12
InChIInChI=1S/C11H11NOS/c1-8(12-7-13)11-10-5-3-2-4-9(10)6-14-11/h2-8H,1H3,(H,12,13)
InChIKeyPDGWWOJEEVQBTF-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]formamide
CID 87180924
bis(2-benzothiophen-1-yl)methanol
CID 57200950
N-(1-naphthalen-2-ylethyl)formamide
CID 18543124
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-benzothiophen-1-amine;methyl formate
CID 159726940
3-(2-benzothiophen-1-yl)-2-methyl-3-oxopropanamide
CID 91066241
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
2-benzothiophen-1-ol
CID 19698750
benzo[c]thiochromen-1-one
CID 87638589
2-formamido-2-naphthalen-1-ylacetic acid
CID 63689501
5-[2-(2-benzothiophen-1-yl)propyl]-2-methyl-1-benzothiophene
CID 134331958

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-benzothiophen-1-yl)ethyl]formamide?
The IUPAC name of N-[1-(2-benzothiophen-1-yl)ethyl]formamide (CID 173295255) is N-[1-(2-benzothiophen-1-yl)ethyl]formamide.
What is the SMILES notation for N-[1-(2-benzothiophen-1-yl)ethyl]formamide?
The canonical SMILES for N-[1-(2-benzothiophen-1-yl)ethyl]formamide is CC(NC=O)c1scc2ccccc12.
What is the InChIKey of N-[1-(2-benzothiophen-1-yl)ethyl]formamide?
The InChIKey is PDGWWOJEEVQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8(12-7-13)11-10-5-3-2-4-9(10)6-14-11/h2-8H,1H3,(H,12,13).
What are the key properties of N-[1-(2-benzothiophen-1-yl)ethyl]formamide?
N-[1-(2-benzothiophen-1-yl)ethyl]formamide has a molecular weight of 205.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-benzothiophen-1-yl)ethyl]formamide is sourced from PubChem (CID 173295255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).