2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide

C16H19NO4S — CID 32969473

IUPAC2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(OC)c(C(=O)NCCc2cccs2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-19-13-10-15(21-3)14(20-2)9-12(13)16(18)17-7-6-11-5-4-8-22-11/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeyABDOCTWMLMMJNQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.75
Rot. Bonds7

About 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide

2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 32969473) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID32969473
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(OC)c(C(=O)NCCc2cccs2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-19-13-10-15(21-3)14(20-2)9-12(13)16(18)17-7-6-11-5-4-8-22-11/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeyABDOCTWMLMMJNQ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
4-methoxy-1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 91813994
5-(diethylsulfamoyl)-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 19257817
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 110675023
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,4-dimethoxybenzoate
CID 7604434
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide (CID 32969473) is 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide is COc1cc(OC)c(C(=O)NCCc2cccs2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is ABDOCTWMLMMJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-19-13-10-15(21-3)14(20-2)9-12(13)16(18)17-7-6-11-5-4-8-22-11/h4-5,8-10H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 321.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 32969473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).