2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide

C14H20N2O5S2 — CID 113152393

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C2CCS(=O)(=O)C2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O5S2/c1-11-3-5-12(6-4-11)15-14(17)9-16(22(2,18)19)13-7-8-23(20,21)10-13/h3-6,13H,7-10H2,1-2H3,(H,15,17)
InChIKeyDDGIKFQHZQDXDK-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.38
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide

2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide (PubChem CID 113152393) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
PubChem CID113152393
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C2CCS(=O)(=O)C2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O5S2/c1-11-3-5-12(6-4-11)15-14(17)9-16(22(2,18)19)13-7-8-23(20,21)10-13/h3-6,13H,7-10H2,1-2H3,(H,15,17)
InChIKeyDDGIKFQHZQDXDK-UHFFFAOYSA-N
XLogP0.38
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152413
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113152403
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152434
N-(3,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 42917926
N-(3,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 29112590
2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588295
N-butan-2-yl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152337
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
methyl 4-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]amino]benzoate
CID 109001862

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide (CID 113152393) is 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C2CCS(=O)(=O)C2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is DDGIKFQHZQDXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-11-3-5-12(6-4-11)15-14(17)9-16(22(2,18)19)13-7-8-23(20,21)10-13/h3-6,13H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 113152393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).