N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide

C21H28N2O3S — CID 39869500

IUPACN-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(C)=O
InChIInChI=1S/C21H28N2O3S/c1-7-23(18(6)24)13-19-10-8-9-11-20(19)22-27(25,26)21-16(4)14(2)12-15(3)17(21)5/h8-12,22H,7,13H2,1-6H3
InChIKeyUWXHRDADAFJOPN-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.09
Rot. Bonds6

About N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide

N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide (PubChem CID 39869500) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
PubChem CID39869500
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(C)=O
InChIInChI=1S/C21H28N2O3S/c1-7-23(18(6)24)13-19-10-8-9-11-20(19)22-27(25,26)21-16(4)14(2)12-15(3)17(21)5/h8-12,22H,7,13H2,1-6H3
InChIKeyUWXHRDADAFJOPN-UHFFFAOYSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 47062885
ethyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]-3-bromobenzoate
CID 39869856
methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 39869765
N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532304
N-ethyl-N-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]phenyl]methyl]acetamide
CID 47062882
N-ethyl-N-[[2-[[(Z)-2-(4-methylphenyl)ethenyl]sulfonylamino]phenyl]methyl]acetamide
CID 94619751
N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532191
N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2334371
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 22774422
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
CID 120623542
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The IUPAC name of N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide (CID 39869500) is N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide is CCN(Cc1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(C)=O.
What is the InChIKey of N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The InChIKey is UWXHRDADAFJOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-7-23(18(6)24)13-19-10-8-9-11-20(19)22-27(25,26)21-16(4)14(2)12-15(3)17(21)5/h8-12,22H,7,13H2,1-6H3.
What are the key properties of N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide?
N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 39869500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).