4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide

C21H21NO3S — CID 19500919

IUPAC4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C21H21NO3S/c1-15(17-7-4-3-5-8-17)22-21(23)20-11-16(14-26-20)13-25-19-10-6-9-18(12-19)24-2/h3-12,14-15H,13H2,1-2H3,(H,22,23)
InChIKeyVONXXQZTNFADQL-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.83
Rot. Bonds7

About 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide

4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide (PubChem CID 19500919) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
PubChem CID19500919
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C21H21NO3S/c1-15(17-7-4-3-5-8-17)22-21(23)20-11-16(14-26-20)13-25-19-10-6-9-18(12-19)24-2/h3-12,14-15H,13H2,1-2H3,(H,22,23)
InChIKeyVONXXQZTNFADQL-UHFFFAOYSA-N
XLogP4.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19484847
4-[(3-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 19505193
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 19486463
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493248
N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501186
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
N-(1-phenylethyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484709
N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500923
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500932
N-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500887
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide (CID 19500919) is 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide is COc1cccc(OCc2csc(C(=O)NC(C)c3ccccc3)c2)c1.
What is the InChIKey of 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide?
The InChIKey is VONXXQZTNFADQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-15(17-7-4-3-5-8-17)22-21(23)20-11-16(14-26-20)13-25-19-10-6-9-18(12-19)24-2/h3-12,14-15H,13H2,1-2H3,(H,22,23).
What are the key properties of 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide?
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19500919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).