2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide

C16H19NO4S — CID 90583915

IUPAC2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(OC)c1ccsc1
InChIInChI=1S/C16H19NO4S/c1-19-12-5-4-6-13(20-2)15(12)16(18)17-9-14(21-3)11-7-8-22-10-11/h4-8,10,14H,9H2,1-3H3,(H,17,18)
InChIKeyPMGSRVYPOMOSOX-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.88
Rot. Bonds7

About 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide

2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 90583915) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
PubChem CID90583915
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(OC)c1ccsc1
InChIInChI=1S/C16H19NO4S/c1-19-12-5-4-6-13(20-2)15(12)16(18)17-9-14(21-3)11-7-8-22-10-11/h4-8,10,14H,9H2,1-3H3,(H,17,18)
InChIKeyPMGSRVYPOMOSOX-UHFFFAOYSA-N
XLogP2.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
2-(2-methoxyphenoxy)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide
CID 90583918
2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257
2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 97414456
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (CID 90583915) is 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is COc1cccc(OC)c1C(=O)NCC(OC)c1ccsc1.
What is the InChIKey of 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is PMGSRVYPOMOSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-19-12-5-4-6-13(20-2)15(12)16(18)17-9-14(21-3)11-7-8-22-10-11/h4-8,10,14H,9H2,1-3H3,(H,17,18).
What are the key properties of 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 321.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 90583915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).