N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C23H26N2O4S — CID 43896242

IUPACN-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C23H26N2O4S/c1-17-11-13-20(14-12-17)29-16-18(2)24-23(26)15-25(30(3,27)28)22-10-6-8-19-7-4-5-9-21(19)22/h4-14,18H,15-16H2,1-3H3,(H,24,26)
InChIKeyBSQNJARVVPOTOF-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.50
Rot. Bonds8

About N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 43896242) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID43896242
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C23H26N2O4S/c1-17-11-13-20(14-12-17)29-16-18(2)24-23(26)15-25(30(3,27)28)22-10-6-8-19-7-4-5-9-21(19)22/h4-14,18H,15-16H2,1-3H3,(H,24,26)
InChIKeyBSQNJARVVPOTOF-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224282
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43895296
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132663567
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide
CID 30220437
2-(4-iodo-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897350
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43895852
N-[1-(4-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901368
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897651
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132667273
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892470
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902234
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43894310

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 43896242) is N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is Cc1ccc(OCC(C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is BSQNJARVVPOTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-17-11-13-20(14-12-17)29-16-18(2)24-23(26)15-25(30(3,27)28)22-10-6-8-19-7-4-5-9-21(19)22/h4-14,18H,15-16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 43896242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).