4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

C20H25N3O5S — CID 30272647

IUPAC4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCCOc1cccc(NC(=O)CN(c2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25N3O5S/c1-5-28-18-8-6-7-16(13-18)21-19(24)14-23(29(4,26)27)17-11-9-15(10-12-17)20(25)22(2)3/h6-13H,5,14H2,1-4H3,(H,21,24)
InChIKeyJAJLAXBVSXIBCW-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.19
Rot. Bonds8

About 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (PubChem CID 30272647) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
PubChem CID30272647
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCCOc1cccc(NC(=O)CN(c2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25N3O5S/c1-5-28-18-8-6-7-16(13-18)21-19(24)14-23(29(4,26)27)17-11-9-15(10-12-17)20(25)22(2)3/h6-13H,5,14H2,1-4H3,(H,21,24)
InChIKeyJAJLAXBVSXIBCW-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259268
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30257759
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
methyl 3-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30272698
methyl 4-[[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539828
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259369
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
ethyl 4-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1361320
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275822

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (CID 30272647) is 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is CCOc1cccc(NC(=O)CN(c2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is JAJLAXBVSXIBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-5-28-18-8-6-7-16(13-18)21-19(24)14-23(29(4,26)27)17-11-9-15(10-12-17)20(25)22(2)3/h6-13H,5,14H2,1-4H3,(H,21,24).
What are the key properties of 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30272647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).