[2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C23H25NO5S — CID 54587503

IUPAC[2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(CCc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)s2)cc1
InChIInChI=1S/C23H25NO5S/c1-26-16-8-5-14(6-9-16)7-10-17-13-18(23(24)30-17)21(25)15-11-19(27-2)22(29-4)20(12-15)28-3/h5-6,8-9,11-13H,7,10,24H2,1-4H3
InChIKeyWNYGTBLYWVIDNY-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.38
Rot. Bonds9

About [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 54587503) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID54587503
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Name[2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(CCc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)s2)cc1
InChIInChI=1S/C23H25NO5S/c1-26-16-8-5-14(6-9-16)7-10-17-13-18(23(24)30-17)21(25)15-11-19(27-2)22(29-4)20(12-15)28-3/h5-6,8-9,11-13H,7,10,24H2,1-4H3
InChIKeyWNYGTBLYWVIDNY-UHFFFAOYSA-N
XLogP4.38
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

[2-amino-5-[2-(4-methoxyphenyl)ethynyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 54583604
methyl 5-[2-(4-methoxyphenyl)ethyl]-2-(methylamino)thiophene-3-carboxylate
CID 72704418
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 22257964
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate
CID 118053542
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708645
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 91972727
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
4-[2-[3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715341
[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 54587503) is [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(CCc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)s2)cc1.
What is the InChIKey of [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WNYGTBLYWVIDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-26-16-8-5-14(6-9-16)7-10-17-13-18(23(24)30-17)21(25)15-11-19(27-2)22(29-4)20(12-15)28-3/h5-6,8-9,11-13H,7,10,24H2,1-4H3.
What are the key properties of [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 427.52 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 54587503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).