N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide

C12H18N2O5S2 — CID 126840923

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N=S(C)(C)=O)c(C)c1
InChIInChI=1S/C12H18N2O5S2/c1-9-7-10(19-2)5-6-11(9)21(17,18)13-8-12(15)14-20(3,4)16/h5-7,13H,8H2,1-4H3
InChIKeyUYIOTJVSNUAKSU-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.54
Rot. Bonds5

About N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide (PubChem CID 126840923) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
PubChem CID126840923
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N=S(C)(C)=O)c(C)c1
InChIInChI=1S/C12H18N2O5S2/c1-9-7-10(19-2)5-6-11(9)21(17,18)13-8-12(15)14-20(3,4)16/h5-7,13H,8H2,1-4H3
InChIKeyUYIOTJVSNUAKSU-UHFFFAOYSA-N
XLogP0.54
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177
N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112997613
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 112990585
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-(3-acetamidophenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999711
methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999849
N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999558
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112995874
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide (CID 126840923) is N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)N=S(C)(C)=O)c(C)c1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The InChIKey is UYIOTJVSNUAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-9-7-10(19-2)5-6-11(9)21(17,18)13-8-12(15)14-20(3,4)16/h5-7,13H,8H2,1-4H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126840923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).