N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide

C22H23N3O5S — CID 31480038

IUPACN-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccs1
InChIInChI=1S/C22H23N3O5S/c1-29-20-8-4-3-6-16(20)13-24(14-18-7-5-11-31-18)15-22(26)23-19-10-9-17(25(27)28)12-21(19)30-2/h3-12H,13-15H2,1-2H3,(H,23,26)
InChIKeyVKXUJUMYUOSWJJ-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.31
Rot. Bonds10

About N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide

N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 31480038) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID31480038
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccs1
InChIInChI=1S/C22H23N3O5S/c1-29-20-8-4-3-6-16(20)13-24(14-18-7-5-11-31-18)15-22(26)23-19-10-9-17(25(27)28)12-21(19)30-2/h3-12H,13-15H2,1-2H3,(H,23,26)
InChIKeyVKXUJUMYUOSWJJ-UHFFFAOYSA-N
XLogP4.31
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 8800904
N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480058
N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 78788084
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31479938
2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
CID 8800986
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480214
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-thiophen-2-ylacetate
CID 7799100
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 31480086
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9298449
2-[bis(thiophen-2-ylmethyl)amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8800992
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide
CID 46614580

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 31480038) is N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide is COc1ccccc1CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccs1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is VKXUJUMYUOSWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-29-20-8-4-3-6-16(20)13-24(14-18-7-5-11-31-18)15-22(26)23-19-10-9-17(25(27)28)12-21(19)30-2/h3-12H,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 441.51 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 31480038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).