3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide

C14H15NOS — CID 4030009

IUPAC3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-10-8-9-17-13(10)14(16)15-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,16)
InChIKeyGMNKCURLOOEXOT-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.55
Rot. Bonds3

About 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide

3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide (PubChem CID 4030009) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide
PubChem CID4030009
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-10-8-9-17-13(10)14(16)15-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,16)
InChIKeyGMNKCURLOOEXOT-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide (CID 4030009) is 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide?
The InChIKey is GMNKCURLOOEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-8-9-17-13(10)14(16)15-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide?
3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide has a molecular weight of 245.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 4030009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).