2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide

C17H21NO3S — CID 110731438

IUPAC2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C17H21NO3S/c1-17(2,14-9-6-10-22-14)11-18-16(19)15-12(20-3)7-5-8-13(15)21-4/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyLGCVHJKUXGFJLW-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.47
Rot. Bonds6

About 2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide

2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide (PubChem CID 110731438) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
PubChem CID110731438
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C17H21NO3S/c1-17(2,14-9-6-10-22-14)11-18-16(19)15-12(20-3)7-5-8-13(15)21-4/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyLGCVHJKUXGFJLW-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 119787675
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 115498038
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
CID 66171373
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride
CID 120989918
5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 78962266
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide (CID 110731438) is 2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide is COc1cccc(OC)c1C(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of 2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
The InChIKey is LGCVHJKUXGFJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-17(2,14-9-6-10-22-14)11-18-16(19)15-12(20-3)7-5-8-13(15)21-4/h5-10H,11H2,1-4H3,(H,18,19).
What are the key properties of 2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide?
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide has a molecular weight of 319.43 g/mol, XLogP of 3.47, 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-(2-methyl-2-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 110731438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).