4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

C20H25N3O5S — CID 30263964

IUPAC4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O5S/c1-22(2)20(25)15-9-11-17(12-10-15)23(29(4,26)27)14-19(24)21-13-16-7-5-6-8-18(16)28-3/h5-12H,13-14H2,1-4H3,(H,21,24)
InChIKeyVWXXQADHIJVNGW-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.48
Rot. Bonds8

About 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (PubChem CID 30263964) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
PubChem CID30263964
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O5S/c1-22(2)20(25)15-9-11-17(12-10-15)23(29(4,26)27)14-19(24)21-13-16-7-5-6-8-18(16)28-3/h5-12H,13-14H2,1-4H3,(H,21,24)
InChIKeyVWXXQADHIJVNGW-UHFFFAOYSA-N
XLogP1.48
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
CID 2898932
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-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 53279417
2-(2,6-difluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113157590
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 126415640
N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951576
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30273811
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30257759
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155200
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 982667
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51342573

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (CID 30263964) is 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is COc1ccccc1CNC(=O)CN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is VWXXQADHIJVNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-22(2)20(25)15-9-11-17(12-10-15)23(29(4,26)27)14-19(24)21-13-16-7-5-6-8-18(16)28-3/h5-12H,13-14H2,1-4H3,(H,21,24).
What are the key properties of 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30263964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).