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

C21H21IN2O2S — CID 31480058

IUPACN-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccccc1I)Cc1cccs1
InChIInChI=1S/C21H21IN2O2S/c1-26-20-11-5-2-7-16(20)13-24(14-17-8-6-12-27-17)15-21(25)23-19-10-4-3-9-18(19)22/h2-12H,13-15H2,1H3,(H,23,25)
InChIKeyNSVYRJWIVMMAIS-UHFFFAOYSA-N
MW492.38 g/mol
LogP5.00
Rot. Bonds8

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

N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 31480058) has the molecular formula C21H21IN2O2S and a molecular weight of 492.38 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID31480058
Molecular FormulaC21H21IN2O2S
Molecular Weight492.38 g/mol
Exact Mass492.04
IUPAC NameN-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccccc1I)Cc1cccs1
InChIInChI=1S/C21H21IN2O2S/c1-26-20-11-5-2-7-16(20)13-24(14-17-8-6-12-27-17)15-21(25)23-19-10-4-3-9-18(19)22/h2-12H,13-15H2,1H3,(H,23,25)
InChIKeyNSVYRJWIVMMAIS-UHFFFAOYSA-N
XLogP5.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 78788084
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-prop-2-enylacetamide
CID 31480086
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480214
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-pentan-2-ylacetamide
CID 46614580
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31479938
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41375506
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide
CID 51171423
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 8800904
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 31480058) is N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide is COc1ccccc1CN(CC(=O)Nc1ccccc1I)Cc1cccs1.
What is the InChIKey of N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is NSVYRJWIVMMAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21IN2O2S/c1-26-20-11-5-2-7-16(20)13-24(14-17-8-6-12-27-17)15-21(25)23-19-10-4-3-9-18(19)22/h2-12H,13-15H2,1H3,(H,23,25).
What are the key properties of N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 492.38 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 31480058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).