N-(4-methoxyphenyl)acetamide;sulfuryl dichloride

C9H11Cl2NO4S — CID 88785543

IUPACN-(4-methoxyphenyl)acetamide;sulfuryl dichloride
SMILESCOc1ccc(NC(C)=O)cc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H11NO2.Cl2O2S/c1-7(11)10-8-3-5-9(12-2)6-4-8;1-5(2,3)4/h3-6H,1-2H3,(H,10,11);
InChIKeyQDVGHMHFGIKTMK-UHFFFAOYSA-N
MW300.16 g/mol
LogP2.36
Rot. Bonds2

About N-(4-methoxyphenyl)acetamide;sulfuryl dichloride

N-(4-methoxyphenyl)acetamide;sulfuryl dichloride (PubChem CID 88785543) has the molecular formula C9H11Cl2NO4S and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(4-methoxyphenyl)acetamide;sulfuryl dichloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)acetamide;sulfuryl dichloride
PubChem CID88785543
Molecular FormulaC9H11Cl2NO4S
Molecular Weight300.16 g/mol
Exact Mass298.98
IUPAC NameN-(4-methoxyphenyl)acetamide;sulfuryl dichloride
SMILESCOc1ccc(NC(C)=O)cc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H11NO2.Cl2O2S/c1-7(11)10-8-3-5-9(12-2)6-4-8;1-5(2,3)4/h3-6H,1-2H3,(H,10,11);
InChIKeyQDVGHMHFGIKTMK-UHFFFAOYSA-N
XLogP2.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
N-(2,3-dideuterio-4-methoxyphenyl)acetamide
CID 167581919
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide
CID 2204943
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
N-(4-methoxyphenyl)-2-oxopropanethioamide
CID 15191748
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)acetamide;sulfuryl dichloride?
The IUPAC name of N-(4-methoxyphenyl)acetamide;sulfuryl dichloride (CID 88785543) is N-(4-methoxyphenyl)acetamide;sulfuryl dichloride.
What is the SMILES notation for N-(4-methoxyphenyl)acetamide;sulfuryl dichloride?
The canonical SMILES for N-(4-methoxyphenyl)acetamide;sulfuryl dichloride is COc1ccc(NC(C)=O)cc1.O=S(=O)(Cl)Cl.
What is the InChIKey of N-(4-methoxyphenyl)acetamide;sulfuryl dichloride?
The InChIKey is QDVGHMHFGIKTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.Cl2O2S/c1-7(11)10-8-3-5-9(12-2)6-4-8;1-5(2,3)4/h3-6H,1-2H3,(H,10,11);.
What are the key properties of N-(4-methoxyphenyl)acetamide;sulfuryl dichloride?
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride has a molecular weight of 300.16 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)acetamide;sulfuryl dichloride is sourced from PubChem (CID 88785543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).