N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

C21H28N2O5S — CID 30273805

IUPACN-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCCOc1ccccc1CNC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-5-27-20-9-7-6-8-17(20)14-22-21(24)15-23(29(4,25)26)18-10-12-19(13-11-18)28-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyJMCYJDLUZYPQMT-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.95
Rot. Bonds10

About N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (PubChem CID 30273805) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
PubChem CID30273805
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCCOc1ccccc1CNC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-5-27-20-9-7-6-8-17(20)14-22-21(24)15-23(29(4,25)26)18-10-12-19(13-11-18)28-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyJMCYJDLUZYPQMT-UHFFFAOYSA-N
XLogP2.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 654680
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30273811
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 53279417
N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286992
N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30260152
N-[(2,4-dichlorophenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263695
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 100518959
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
CID 2898932
N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 53286988
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30303626
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513
2-(2-methoxy-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46772898

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (CID 30273805) is N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is CCOc1ccccc1CNC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The InChIKey is JMCYJDLUZYPQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-27-20-9-7-6-8-17(20)14-22-21(24)15-23(29(4,25)26)18-10-12-19(13-11-18)28-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide has a molecular weight of 420.53 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 30273805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).