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

C15H17NO2S — CID 47114692

IUPAC5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2ccc(OC)cc2)s1
InChIInChI=1S/C15H17NO2S/c1-3-13-8-9-14(19-13)15(17)16-10-11-4-6-12(18-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyAATSTZSLDSRTAP-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.25
Rot. Bonds5

About 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 47114692) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID47114692
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2ccc(OC)cc2)s1
InChIInChI=1S/C15H17NO2S/c1-3-13-8-9-14(19-13)15(17)16-10-11-4-6-12(18-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyAATSTZSLDSRTAP-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
CID 43358625
methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 35191855
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 55083965
5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 46083095
1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031414
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463
N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 136538782
methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
CID 43408697

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 47114692) is 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is CCc1ccc(C(=O)NCc2ccc(OC)cc2)s1.
What is the InChIKey of 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is AATSTZSLDSRTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-13-8-9-14(19-13)15(17)16-10-11-4-6-12(18-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47114692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).