N-(2-phenyl-1-benzothiophen-3-yl)formamide

C15H11NOS — CID 15700625

IUPACN-(2-phenyl-1-benzothiophen-3-yl)formamide
SMILESO=CNc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H11NOS/c17-10-16-14-12-8-4-5-9-13(12)18-15(14)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKeyWPDWFWGIVXCPRZ-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.14
Rot. Bonds3

About N-(2-phenyl-1-benzothiophen-3-yl)formamide

N-(2-phenyl-1-benzothiophen-3-yl)formamide (PubChem CID 15700625) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-phenyl-1-benzothiophen-3-yl)formamide.

Molecular Properties

Compound NameN-(2-phenyl-1-benzothiophen-3-yl)formamide
PubChem CID15700625
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC NameN-(2-phenyl-1-benzothiophen-3-yl)formamide
SMILESO=CNc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H11NOS/c17-10-16-14-12-8-4-5-9-13(12)18-15(14)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKeyWPDWFWGIVXCPRZ-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.14
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-(2-phenyl-1-benzothiophen-3-yl)formamide?
The IUPAC name of N-(2-phenyl-1-benzothiophen-3-yl)formamide (CID 15700625) is N-(2-phenyl-1-benzothiophen-3-yl)formamide.
What is the SMILES notation for N-(2-phenyl-1-benzothiophen-3-yl)formamide?
The canonical SMILES for N-(2-phenyl-1-benzothiophen-3-yl)formamide is O=CNc1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of N-(2-phenyl-1-benzothiophen-3-yl)formamide?
The InChIKey is WPDWFWGIVXCPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c17-10-16-14-12-8-4-5-9-13(12)18-15(14)11-6-2-1-3-7-11/h1-10H,(H,16,17).
What are the key properties of N-(2-phenyl-1-benzothiophen-3-yl)formamide?
N-(2-phenyl-1-benzothiophen-3-yl)formamide has a molecular weight of 253.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1-benzothiophen-3-yl)formamide is sourced from PubChem (CID 15700625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).