N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide

C22H23NO3S — CID 55851805

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1sc(-c2ccccc2)cc1OC
InChIInChI=1S/C22H23NO3S/c1-3-26-15-18-12-8-7-11-17(18)14-23-22(24)21-19(25-2)13-20(27-21)16-9-5-4-6-10-16/h4-13H,3,14-15H2,1-2H3,(H,23,24)
InChIKeyBCFQBVFSZCPHHL-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.89
Rot. Bonds8

About N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide

N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide (PubChem CID 55851805) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
PubChem CID55851805
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1sc(-c2ccccc2)cc1OC
InChIInChI=1S/C22H23NO3S/c1-3-26-15-18-12-8-7-11-17(18)14-23-22(24)21-19(25-2)13-20(27-21)16-9-5-4-6-10-16/h4-13H,3,14-15H2,1-2H3,(H,23,24)
InChIKeyBCFQBVFSZCPHHL-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 51087309
3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide
CID 120831086
N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 71848991
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 37398778
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 37399072
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
N-(3-acetamidophenyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55834572
N-[[2-(ethoxymethyl)phenyl]methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43062587
3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide
CID 55831825
N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 37397786

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide (CID 55851805) is N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide is CCOCc1ccccc1CNC(=O)c1sc(-c2ccccc2)cc1OC.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
The InChIKey is BCFQBVFSZCPHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-3-26-15-18-12-8-7-11-17(18)14-23-22(24)21-19(25-2)13-20(27-21)16-9-5-4-6-10-16/h4-13H,3,14-15H2,1-2H3,(H,23,24).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55851805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).