2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide

C21H28N2O4S — CID 30271513

IUPAC2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-17(2)27-20-13-11-19(12-14-20)23(28(3,25)26)16-21(24)22-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,17H,7,10,15-16H2,1-3H3,(H,22,24)
InChIKeyGGVYJXSMVYLEDQ-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.99
Rot. Bonds10

About 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide (PubChem CID 30271513) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
PubChem CID30271513
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-17(2)27-20-13-11-19(12-14-20)23(28(3,25)26)16-21(24)22-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,17H,7,10,15-16H2,1-3H3,(H,22,24)
InChIKeyGGVYJXSMVYLEDQ-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30242392
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30253885
2-(2-bromo-N-methylsulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30223937
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 43897807
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 46764764
2-[N-(benzenesulfonyl)anilino]-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30174041
N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30257661
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide
CID 30257371
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 133249920

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide (CID 30271513) is 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide is CC(C)Oc1ccc(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide?
The InChIKey is GGVYJXSMVYLEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-17(2)27-20-13-11-19(12-14-20)23(28(3,25)26)16-21(24)22-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,17H,7,10,15-16H2,1-3H3,(H,22,24).
What are the key properties of 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide?
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 30271513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).