N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

C20H22N2O2S — CID 8677595

IUPACN-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1C
InChIInChI=1S/C20H22N2O2S/c1-15-6-3-9-19(16(15)2)21-20(23)14-22(12-17-7-4-10-24-17)13-18-8-5-11-25-18/h3-11H,12-14H2,1-2H3,(H,21,23)
InChIKeyPUWZJGBLILAXNU-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.60
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8677595) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8677595
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1C
InChIInChI=1S/C20H22N2O2S/c1-15-6-3-9-19(16(15)2)21-20(23)14-22(12-17-7-4-10-24-17)13-18-8-5-11-25-18/h3-11H,12-14H2,1-2H3,(H,21,23)
InChIKeyPUWZJGBLILAXNU-UHFFFAOYSA-N
XLogP4.60
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (CID 8677595) is N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is PUWZJGBLILAXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-6-3-9-19(16(15)2)21-20(23)14-22(12-17-7-4-10-24-17)13-18-8-5-11-25-18/h3-11H,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 354.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8677595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).