N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide

C21H22N2O4S — CID 47067394

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C21H22N2O4S/c1-3-28(25,26)23-20-11-9-18(12-15(20)2)22-21(24)14-27-19-10-8-16-6-4-5-7-17(16)13-19/h4-13,23H,3,14H2,1-2H3,(H,22,24)
InChIKeyDMPKFSHPWFHHBZ-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.93
Rot. Bonds7

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 47067394) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide
PubChem CID47067394
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C21H22N2O4S/c1-3-28(25,26)23-20-11-9-18(12-15(20)2)22-21(24)14-27-19-10-8-16-6-4-5-7-17(16)13-19/h4-13,23H,3,14H2,1-2H3,(H,22,24)
InChIKeyDMPKFSHPWFHHBZ-UHFFFAOYSA-N
XLogP3.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 47067384
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-methoxyphenoxy)acetamide
CID 55947423
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 55947056
N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 54777087
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 24648345
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide
CID 55947691
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide (CID 47067394) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide is CCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is DMPKFSHPWFHHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-28(25,26)23-20-11-9-18(12-15(20)2)22-21(24)14-27-19-10-8-16-6-4-5-7-17(16)13-19/h4-13,23H,3,14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 398.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 47067394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).