N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide

C20H26N2O4S — CID 113070755

IUPACN-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
SMILESCC(C)Oc1ccc(N(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-16(2)26-19-11-9-18(10-12-19)22(27(3,24)25)14-13-21-20(23)15-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyQWLOCIOOEQDMRH-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.60
Rot. Bonds9

About N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide

N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide (PubChem CID 113070755) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
PubChem CID113070755
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
SMILESCC(C)Oc1ccc(N(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-16(2)26-19-11-9-18(10-12-19)22(27(3,24)25)14-13-21-20(23)15-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyQWLOCIOOEQDMRH-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113071035
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738
3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113070752
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
CID 113145049
N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30257661
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
CID 113145047
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide
CID 100502166
2-(2-methylphenyl)-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]acetamide
CID 113069429

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide (CID 113070755) is N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide is CC(C)Oc1ccc(N(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide?
The InChIKey is QWLOCIOOEQDMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-16(2)26-19-11-9-18(10-12-19)22(27(3,24)25)14-13-21-20(23)15-17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide?
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide has a molecular weight of 390.51 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113070755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).