2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C15H22N2O5S2 — CID 112993836

IUPAC2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(C)C2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C15H22N2O5S2/c1-11-4-5-14(12(2)8-11)24(21,22)16-9-15(18)17(3)13-6-7-23(19,20)10-13/h4-5,8,13,16H,6-7,9-10H2,1-3H3
InChIKeyLIIDOTKNKKCGMF-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.23
Rot. Bonds5

About 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 112993836) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID112993836
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(C)C2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C15H22N2O5S2/c1-11-4-5-14(12(2)8-11)24(21,22)16-9-15(18)17(3)13-6-7-23(19,20)10-13/h4-5,8,13,16H,6-7,9-10H2,1-3H3
InChIKeyLIIDOTKNKKCGMF-UHFFFAOYSA-N
XLogP0.23
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112994308
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,4-trimethylbenzenesulfonamide
CID 129370634
2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001910
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 43019205
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2,4,6-trimethylanilino)propanamide
CID 109026631
(3S)-N'-(2,4-dimethylphenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide
CID 8843879
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51238277
N-cyclohexyl-3-[(2,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 51274726
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 112994303
2-[4-(dimethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001942
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993811
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 112993836) is 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is Cc1ccc(S(=O)(=O)NCC(=O)N(C)C2CCS(=O)(=O)C2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is LIIDOTKNKKCGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-11-4-5-14(12(2)8-11)24(21,22)16-9-15(18)17(3)13-6-7-23(19,20)10-13/h4-5,8,13,16H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 374.48 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 112993836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).