N-methyl-5-phenylthiophene-2-carboxamide

C12H11NOS — CID 3790018

IUPACN-methyl-5-phenylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H11NOS/c1-13-12(14)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)
InChIKeyURCCNXYQSTUSNL-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.77
Rot. Bonds2

About N-methyl-5-phenylthiophene-2-carboxamide

N-methyl-5-phenylthiophene-2-carboxamide (PubChem CID 3790018) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is N-methyl-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-phenylthiophene-2-carboxamide
PubChem CID3790018
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC NameN-methyl-5-phenylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H11NOS/c1-13-12(14)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)
InChIKeyURCCNXYQSTUSNL-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-methyl-5-phenylthiophene-2-carboxamide (CID 3790018) is N-methyl-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-phenylthiophene-2-carboxamide is CNC(=O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-methyl-5-phenylthiophene-2-carboxamide?
The InChIKey is URCCNXYQSTUSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-13-12(14)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14).
What are the key properties of N-methyl-5-phenylthiophene-2-carboxamide?
N-methyl-5-phenylthiophene-2-carboxamide has a molecular weight of 217.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 3790018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).