N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide

C12H20N2O5S2 — CID 113070529

IUPACN-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C12H20N2O5S2/c1-4-21(17,18)13-9-10-14(20(3,15)16)11-5-7-12(19-2)8-6-11/h5-8,13H,4,9-10H2,1-3H3
InChIKeyNGNDLALVZHOQLE-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.40
Rot. Bonds8

About N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide

N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide (PubChem CID 113070529) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
PubChem CID113070529
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC NameN-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C12H20N2O5S2/c1-4-21(17,18)13-9-10-14(20(3,15)16)11-5-7-12(19-2)8-6-11/h5-8,13H,4,9-10H2,1-3H3
InChIKeyNGNDLALVZHOQLE-UHFFFAOYSA-N
XLogP0.40
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113070641
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
CID 56919929
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070587
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068589
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113056540
N-(2,4-dimethylpentan-3-yl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286587

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide (CID 113070529) is N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide?
The InChIKey is NGNDLALVZHOQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-4-21(17,18)13-9-10-14(20(3,15)16)11-5-7-12(19-2)8-6-11/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide?
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide has a molecular weight of 336.44 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide is sourced from PubChem (CID 113070529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).