N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide

C13H21N3O3S — CID 106335613

IUPACN-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O3S/c1-11(17)15-13-7-5-4-6-12(13)10-14-8-9-20(18,19)16(2)3/h4-7,14H,8-10H2,1-3H3,(H,15,17)
InChIKeyCQRXRPOLNFBOIS-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.63
Rot. Bonds7

About N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide

N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide (PubChem CID 106335613) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
PubChem CID106335613
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O3S/c1-11(17)15-13-7-5-4-6-12(13)10-14-8-9-20(18,19)16(2)3/h4-7,14H,8-10H2,1-3H3,(H,15,17)
InChIKeyCQRXRPOLNFBOIS-UHFFFAOYSA-N
XLogP0.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
CID 66385636
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-[(4,4,4-trifluorobutylamino)methyl]phenyl]acetamide
CID 115474667
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide
CID 103838945
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
CID 66385443
N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
CID 66417096
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N,N-dimethyl-2-[(2,4,5-trimethylphenyl)methylamino]ethanesulfonamide
CID 106335145
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
CID 114175071

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide (CID 106335613) is N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNCCS(=O)(=O)N(C)C.
What is the InChIKey of N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide?
The InChIKey is CQRXRPOLNFBOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-11(17)15-13-7-5-4-6-12(13)10-14-8-9-20(18,19)16(2)3/h4-7,14H,8-10H2,1-3H3,(H,15,17).
What are the key properties of N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide?
N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 106335613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).