N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide

C21H21NO4S — CID 121134148

IUPACN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C(O)c3ccccc3)s2)c(OC)c1
InChIInChI=1S/C21H21NO4S/c1-25-15-8-10-17(18(12-15)26-2)21(24)22-13-16-9-11-19(27-16)20(23)14-6-4-3-5-7-14/h3-12,20,23H,13H2,1-2H3,(H,22,24)
InChIKeySONSOFVBAFIFQE-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.78
Rot. Bonds7

About N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide (PubChem CID 121134148) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide
PubChem CID121134148
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C(O)c3ccccc3)s2)c(OC)c1
InChIInChI=1S/C21H21NO4S/c1-25-15-8-10-17(18(12-15)26-2)21(24)22-13-16-9-11-19(27-16)20(23)14-6-4-3-5-7-14/h3-12,20,23H,13H2,1-2H3,(H,22,24)
InChIKeySONSOFVBAFIFQE-UHFFFAOYSA-N
XLogP3.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide (CID 121134148) is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccc(C(O)c3ccccc3)s2)c(OC)c1.
What is the InChIKey of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide?
The InChIKey is SONSOFVBAFIFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-25-15-8-10-17(18(12-15)26-2)21(24)22-13-16-9-11-19(27-16)20(23)14-6-4-3-5-7-14/h3-12,20,23H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide?
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide has a molecular weight of 383.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 121134148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).