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

C21H22N2O4S — CID 1098117

IUPACN-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-27-18-13-11-17(12-14-18)22-21(24)15-23(28(2,25)26)20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyRROTZXUJPBQEQW-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.64
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 1098117) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID1098117
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-27-18-13-11-17(12-14-18)22-21(24)15-23(28(2,25)26)20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyRROTZXUJPBQEQW-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1100140
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113157658
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1100045
N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
N-[2-(4-methylphenoxy)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224282
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
CID 50895807
N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896242
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(4-ethoxyphenyl)acetamide
CID 2273103

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 1098117) is N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is CCOc1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is RROTZXUJPBQEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-27-18-13-11-17(12-14-18)22-21(24)15-23(28(2,25)26)20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,3,15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 398.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 1098117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).