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

C15H22N2O5S2 — CID 113152361

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

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

N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide (PubChem CID 113152361) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
PubChem CID113152361
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC NameN-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S2/c1-16(10-13-6-4-3-5-7-13)15(18)11-17(23(2,19)20)14-8-9-24(21,22)12-14/h3-7,14H,8-12H2,1-2H3
InChIKeyWNFKYINUOYWCQH-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-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide
CID 113147870
2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113150439
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108946053
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-methylpropanediamide
CID 108946063
N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 70755777
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
CID 113152388
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
CID 113153644
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113152403
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 113152393
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8540241

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide (CID 113152361) is N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN(C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide?
The InChIKey is WNFKYINUOYWCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-16(10-13-6-4-3-5-7-13)15(18)11-17(23(2,19)20)14-8-9-24(21,22)12-14/h3-7,14H,8-12H2,1-2H3.
What are the key properties of N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide?
N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-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 N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide is sourced from PubChem (CID 113152361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).