N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide

C15H17NO3S — CID 6623334

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CNC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C15H17NO3S/c1-18-13-6-5-11(8-14(13)19-2)10-16-15(17)9-12-4-3-7-20-12/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeySTRNETJOZOQLLA-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.62
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 6623334) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID6623334
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CNC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C15H17NO3S/c1-18-13-6-5-11(8-14(13)19-2)10-16-15(17)9-12-4-3-7-20-12/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeySTRNETJOZOQLLA-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-(2-aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 11675630
N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide
CID 784454
N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
2-(3,4-Dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2998642
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
N-[2-(2-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 1246879
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-methylthiophen-2-yl)methanone
CID 1954203
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide (CID 6623334) is N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide is COc1ccc(CNC(=O)Cc2cccs2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is STRNETJOZOQLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-18-13-6-5-11(8-14(13)19-2)10-16-15(17)9-12-4-3-7-20-12/h3-8H,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 291.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6623334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).