N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide

C17H20N2O4S — CID 2898932

IUPACN-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-23-16-11-7-6-8-14(16)12-18-17(20)13-19(24(2,21)22)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyJPDBSFCGYJJLNI-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.78
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide

N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide (PubChem CID 2898932) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
PubChem CID2898932
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-23-16-11-7-6-8-14(16)12-18-17(20)13-19(24(2,21)22)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyJPDBSFCGYJJLNI-UHFFFAOYSA-N
XLogP1.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30263964
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 654680
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 2243415
2-(2,6-difluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113157590
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 126033129
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 126415640
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 53279417
N-[(2-methoxyphenyl)methyl]-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 26564448
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51342573
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1339603
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113152861

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide (CID 2898932) is N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide is COc1ccccc1CNC(=O)CN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is JPDBSFCGYJJLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-16-11-7-6-8-14(16)12-18-17(20)13-19(24(2,21)22)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2898932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).