N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide

C15H17NO2S — CID 30865920

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)c2cccs2)c1
InChIInChI=1S/C15H17NO2S/c1-11-8-12(2)10-13(9-11)18-6-5-16-15(17)14-4-3-7-19-14/h3-4,7-10H,5-6H2,1-2H3,(H,16,17)
InChIKeyRCTGALNUCFNHQW-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide (PubChem CID 30865920) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
PubChem CID30865920
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)c2cccs2)c1
InChIInChI=1S/C15H17NO2S/c1-11-8-12(2)10-13(9-11)18-6-5-16-15(17)14-4-3-7-19-14/h3-4,7-10H,5-6H2,1-2H3,(H,16,17)
InChIKeyRCTGALNUCFNHQW-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9489216
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495
N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18093718
N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27859245
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
CID 95161709
N-[2-[[4-[2-(3,5-dimethylphenoxy)propanoylamino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121063029
N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26980079
3-(thiophene-2-carbonylamino)propyl 2-(4-ethoxyphenoxy)acetate
CID 84559948
N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
CID 82354226
N-[2-oxo-2-[[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9482610
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide (CID 30865920) is N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide is Cc1cc(C)cc(OCCNC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is RCTGALNUCFNHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-8-12(2)10-13(9-11)18-6-5-16-15(17)14-4-3-7-19-14/h3-4,7-10H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 30865920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).