N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide

C16H13NOS — CID 129134471

IUPACN-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide
SMILESCc1ccc(-c2sc3ccccc3c2NC=O)cc1
InChIInChI=1S/C16H13NOS/c1-11-6-8-12(9-7-11)16-15(17-10-18)13-4-2-3-5-14(13)19-16/h2-10H,1H3,(H,17,18)
InChIKeyRMDVOXRPYSTWEE-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.45
Rot. Bonds3

About N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide

N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide (PubChem CID 129134471) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide
PubChem CID129134471
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC NameN-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide
SMILESCc1ccc(-c2sc3ccccc3c2NC=O)cc1
InChIInChI=1S/C16H13NOS/c1-11-6-8-12(9-7-11)16-15(17-10-18)13-4-2-3-5-14(13)19-16/h2-10H,1H3,(H,17,18)
InChIKeyRMDVOXRPYSTWEE-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.45
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-(4-methylphenyl)-1-benzothiophen-3-yl]formamide?
The IUPAC name of N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide (CID 129134471) is N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide?
The canonical SMILES for N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide is Cc1ccc(-c2sc3ccccc3c2NC=O)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide?
The InChIKey is RMDVOXRPYSTWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-6-8-12(9-7-11)16-15(17-10-18)13-4-2-3-5-14(13)19-16/h2-10H,1H3,(H,17,18).
What are the key properties of N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide?
N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide has a molecular weight of 267.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-benzothiophen-3-yl]formamide is sourced from PubChem (CID 129134471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).