N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide

C14H20N2O3S — CID 4839937

IUPACN-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C14H20N2O3S/c1-10-3-4-12(7-11(10)2)16-14(17)8-15-13-5-6-20(18,19)9-13/h3-4,7,13,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyXHEGZUCNHFQTIR-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.02
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide

N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide (PubChem CID 4839937) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
PubChem CID4839937
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C14H20N2O3S/c1-10-3-4-12(7-11(10)2)16-14(17)8-15-13-5-6-20(18,19)9-13/h3-4,7,13,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyXHEGZUCNHFQTIR-UHFFFAOYSA-N
XLogP1.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide (CID 4839937) is N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide is Cc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The InChIKey is XHEGZUCNHFQTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-3-4-12(7-11(10)2)16-14(17)8-15-13-5-6-20(18,19)9-13/h3-4,7,13,15H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide is sourced from PubChem (CID 4839937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).