3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide

C15H17NO2S — CID 47374320

IUPAC3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C15H17NO2S/c1-3-12-8-9-19-14(12)15(18)16(2)10-11-4-6-13(17)7-5-11/h4-9,17H,3,10H2,1-2H3
InChIKeyKSMSVEJMKXTWOO-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.29
Rot. Bonds4

About 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide

3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 47374320) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID47374320
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C15H17NO2S/c1-3-12-8-9-19-14(12)15(18)16(2)10-11-4-6-13(17)7-5-11/h4-9,17H,3,10H2,1-2H3
InChIKeyKSMSVEJMKXTWOO-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934038
5-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934040
5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934042
N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide
CID 56934182
N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934188
N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
CID 56934327
5-(3-Fluorophenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56934328
5-(4-Fluorophenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56934478
N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 668923
N2,N2-di(4-methoxybenzyl)thiophene-2-carboxamide
CID 2741087
5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 90645099

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 47374320) is 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is CCc1ccsc1C(=O)N(C)Cc1ccc(O)cc1.
What is the InChIKey of 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is KSMSVEJMKXTWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-12-8-9-19-14(12)15(18)16(2)10-11-4-6-13(17)7-5-11/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47374320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).