N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide

C23H25N3O3S — CID 78788084

IUPACN-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cccs1
InChIInChI=1S/C23H25N3O3S/c1-17(27)24-19-8-5-9-20(13-19)25-23(28)16-26(15-21-10-6-12-30-21)14-18-7-3-4-11-22(18)29-2/h3-13H,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZOLCTLBWKSDOCI-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.36
Rot. Bonds9

About N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide

N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 78788084) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID78788084
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cccs1
InChIInChI=1S/C23H25N3O3S/c1-17(27)24-19-8-5-9-20(13-19)25-23(28)16-26(15-21-10-6-12-30-21)14-18-7-3-4-11-22(18)29-2/h3-13H,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZOLCTLBWKSDOCI-UHFFFAOYSA-N
XLogP4.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31479938
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480214
N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480058
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 31480086
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480038
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide
CID 46614580
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41375506
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 46650156
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]acetamide
CID 110932227
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 8800785

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 78788084) is N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide is COc1ccccc1CN(CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cccs1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is ZOLCTLBWKSDOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-17(27)24-19-8-5-9-20(13-19)25-23(28)16-26(15-21-10-6-12-30-21)14-18-7-3-4-11-22(18)29-2/h3-13H,14-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 78788084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).