N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide

C14H20N2O5S2 — CID 113153644

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
SMILESCN(C(=O)CN(c1ccccc1)S(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O5S2/c1-15(13-8-9-23(20,21)11-13)14(17)10-16(22(2,18)19)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyQFRQVTZPESFXNA-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.10
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide (PubChem CID 113153644) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
PubChem CID113153644
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
SMILESCN(C(=O)CN(c1ccccc1)S(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O5S2/c1-15(13-8-9-23(20,21)11-13)14(17)10-16(22(2,18)19)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyQFRQVTZPESFXNA-UHFFFAOYSA-N
XLogP0.10
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113150439
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 46614350
3-(benzenesulfonyl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110294969
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 51110428
N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
CID 113152361
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-methylacetamide
CID 113151002
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147502
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methyl-N-propan-2-ylanilino)acetamide
CID 94820526
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108946053
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153415
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2672919
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide (CID 113153644) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide is CN(C(=O)CN(c1ccccc1)S(C)(=O)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is QFRQVTZPESFXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-15(13-8-9-23(20,21)11-13)14(17)10-16(22(2,18)19)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 360.46 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113153644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).