2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide

C22H23NO3S — CID 110296913

IUPAC2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(CNC(=O)C(Cc2cccs2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23NO3S/c1-25-18-9-5-16(6-10-18)15-23-22(24)21(14-20-4-3-13-27-20)17-7-11-19(26-2)12-8-17/h3-13,21H,14-15H2,1-2H3,(H,23,24)
InChIKeyMISWQLNTTCDXHR-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.41
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide

2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 110296913) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID110296913
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(CNC(=O)C(Cc2cccs2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23NO3S/c1-25-18-9-5-16(6-10-18)15-23-22(24)21(14-20-4-3-13-27-20)17-7-11-19(26-2)12-8-17/h3-13,21H,14-15H2,1-2H3,(H,23,24)
InChIKeyMISWQLNTTCDXHR-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909
N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110416393
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296925
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470123
2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide
CID 3210926
(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1450014
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8769242

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide (CID 110296913) is 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide is COc1ccc(CNC(=O)C(Cc2cccs2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is MISWQLNTTCDXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-25-18-9-5-16(6-10-18)15-23-22(24)21(14-20-4-3-13-27-20)17-7-11-19(26-2)12-8-17/h3-13,21H,14-15H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide?
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 381.50 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110296913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).