2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide

C20H19NO3S — CID 110292490

IUPAC2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H19NO3S/c1-23-16-9-6-10-17(24-2)19(16)20(22)21-13-15-11-12-18(25-15)14-7-4-3-5-8-14/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyUMTUQUVMPMEBJM-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.36
Rot. Bonds6

About 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide

2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide (PubChem CID 110292490) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide
PubChem CID110292490
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H19NO3S/c1-23-16-9-6-10-17(24-2)19(16)20(22)21-13-15-11-12-18(25-15)14-7-4-3-5-8-14/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyUMTUQUVMPMEBJM-UHFFFAOYSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide
CID 110292483
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
2,6-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzamide
CID 110718905
N-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]acetamide
CID 43223958
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
3-[[5-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004907
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methoxybenzamide
CID 37017962
N-[(5-phenylthiophen-2-yl)methyl]-2-(2,4,5-trimethoxyphenyl)ethanamine
CID 166130338
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide (CID 110292490) is 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide is COc1cccc(OC)c1C(=O)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide?
The InChIKey is UMTUQUVMPMEBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-23-16-9-6-10-17(24-2)19(16)20(22)21-13-15-11-12-18(25-15)14-7-4-3-5-8-14/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide?
2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide has a molecular weight of 353.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 110292490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).