2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide

C15H22N2O3S — CID 43720805

IUPAC2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-17(2)15(18)11-12-3-5-13(6-4-12)16-14-7-9-21(19,20)10-8-14/h3-6,14,16H,7-11H2,1-2H3
InChIKeyVOJGYFMWRAQFRI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.31
Rot. Bonds4

About 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide

2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide (PubChem CID 43720805) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
PubChem CID43720805
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-17(2)15(18)11-12-3-5-13(6-4-12)16-14-7-9-21(19,20)10-8-14/h3-6,14,16H,7-11H2,1-2H3
InChIKeyVOJGYFMWRAQFRI-UHFFFAOYSA-N
XLogP1.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741
N-(4-ethylphenyl)-1,1-dioxothian-4-amine
CID 43511548
2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 64761637
2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
CID 105364118
N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 43511624
methyl 2-[4-[(1,1-dioxothian-4-yl)amino]phenoxy]acetate
CID 43676860
2-(4-acetamidophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17480753
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
CID 79707370
N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine
CID 21192616
2-(4-chlorophenyl)-N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]acetamide
CID 112983873

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide (CID 43720805) is 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(NC2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is VOJGYFMWRAQFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(2)15(18)11-12-3-5-13(6-4-12)16-14-7-9-21(19,20)10-8-14/h3-6,14,16H,7-11H2,1-2H3.
What are the key properties of 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide?
2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 310.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 43720805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).