N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide

C21H21NO3S — CID 90623429

IUPACN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(-c3ccsc3)cc2)OC)c1
InChIInChI=1S/C21H21NO3S/c1-24-19-5-3-4-17(12-19)20(25-2)13-22-21(23)16-8-6-15(7-9-16)18-10-11-26-14-18/h3-12,14,20H,13H2,1-2H3,(H,22,23)
InChIKeyDALQAHPVLVMSHQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.54
Rot. Bonds7

About N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide (PubChem CID 90623429) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide
PubChem CID90623429
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(-c3ccsc3)cc2)OC)c1
InChIInChI=1S/C21H21NO3S/c1-24-19-5-3-4-17(12-19)20(25-2)13-22-21(23)16-8-6-15(7-9-16)18-10-11-26-14-18/h3-12,14,20H,13H2,1-2H3,(H,22,23)
InChIKeyDALQAHPVLVMSHQ-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 73168514
3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623404
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 73168515
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583971

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide (CID 90623429) is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide is COc1cccc(C(CNC(=O)c2ccc(-c3ccsc3)cc2)OC)c1.
What is the InChIKey of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide?
The InChIKey is DALQAHPVLVMSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-24-19-5-3-4-17(12-19)20(25-2)13-22-21(23)16-8-6-15(7-9-16)18-10-11-26-14-18/h3-12,14,20H,13H2,1-2H3,(H,22,23).
What are the key properties of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide?
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide has a molecular weight of 367.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 90623429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).