N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C15H22N2O5S2 — CID 110407095

IUPACN-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)NC2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C15H22N2O5S2/c1-10-6-11(2)15(12(3)7-10)24(21,22)16-8-14(18)17-13-4-5-23(19,20)9-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyJWYOQSZGSPCUAG-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.19
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 110407095) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID110407095
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)NC2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C15H22N2O5S2/c1-10-6-11(2)15(12(3)7-10)24(21,22)16-8-14(18)17-13-4-5-23(19,20)9-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyJWYOQSZGSPCUAG-UHFFFAOYSA-N
XLogP0.19
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide with MolForge

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110600977
N-(1,1-dioxothiolan-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 45154252
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110600989
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7927709
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110407099
2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
N'-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)propanediamide
CID 108949072
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8535906
N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 110600998
N-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 18098536
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 110407095) is N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)NCC(=O)NC2CCS(=O)(=O)C2)c(C)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is JWYOQSZGSPCUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-10-6-11(2)15(12(3)7-10)24(21,22)16-8-14(18)17-13-4-5-23(19,20)9-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 374.48 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 110407095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).