N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide

C14H15NO2S — CID 793928

IUPACN-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-17-12-6-4-11(5-7-12)8-9-15-14(16)13-3-2-10-18-13/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyFYKMFHQLMBNVLL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 793928) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID793928
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-17-12-6-4-11(5-7-12)8-9-15-14(16)13-3-2-10-18-13/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyFYKMFHQLMBNVLL-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 793928) is N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(CCNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is FYKMFHQLMBNVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-12-6-4-11(5-7-12)8-9-15-14(16)13-3-2-10-18-13/h2-7,10H,8-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 793928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).