2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C15H22N2O5S2 — CID 113150439

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CN(Cc1ccccc1)S(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O5S2/c1-16(14-8-9-24(21,22)12-14)15(18)11-17(23(2,19)20)10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyACXLHXKJDSFRRU-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.09
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 113150439) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID113150439
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CN(Cc1ccccc1)S(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O5S2/c1-16(14-8-9-24(21,22)12-14)15(18)11-17(23(2,19)20)10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyACXLHXKJDSFRRU-UHFFFAOYSA-N
XLogP0.09
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-methylacetamide
CID 113151002
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
CID 113153644
N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
CID 113152361
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108946053
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147502
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153415
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,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-methylpropanediamide
CID 108946063
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8540241
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136861

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 113150439) is 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CN(C(=O)CN(Cc1ccccc1)S(C)(=O)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is ACXLHXKJDSFRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-16(14-8-9-24(21,22)12-14)15(18)11-17(23(2,19)20)10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 374.48 g/mol, XLogP of 0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 113150439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).