N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide

C25H21NO3S — CID 46082949

IUPACN-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)c1
InChIInChI=1S/C25H21NO3S/c1-28-22-9-5-6-18(16-22)17-26-25(27)24-15-14-23(30-24)19-10-12-21(13-11-19)29-20-7-3-2-4-8-20/h2-16H,17H2,1H3,(H,26,27)
InChIKeyUJRVVUQEYMDAKK-UHFFFAOYSA-N
MW415.51 g/mol
LogP6.15
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide

N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide (PubChem CID 46082949) has the molecular formula C25H21NO3S and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
PubChem CID46082949
Molecular FormulaC25H21NO3S
Molecular Weight415.51 g/mol
Exact Mass415.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)c1
InChIInChI=1S/C25H21NO3S/c1-28-22-9-5-6-18(16-22)17-26-25(27)24-15-14-23(30-24)19-10-12-21(13-11-19)29-20-7-3-2-4-8-20/h2-16H,17H2,1H3,(H,26,27)
InChIKeyUJRVVUQEYMDAKK-UHFFFAOYSA-N
XLogP6.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 11645815
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 46083095
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
CID 53169243
2-[5-[(3-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 90188040
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795965
N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide (CID 46082949) is N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide is COc1cccc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide?
The InChIKey is UJRVVUQEYMDAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3S/c1-28-22-9-5-6-18(16-22)17-26-25(27)24-15-14-23(30-24)19-10-12-21(13-11-19)29-20-7-3-2-4-8-20/h2-16H,17H2,1H3,(H,26,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46082949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).