N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide

C16H18N2O4S — CID 1360894

IUPACN-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-15-10-8-13(9-11-15)17-16(19)12-18(23(2,20)21)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyVDGXFCHAZFCDJB-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.10
Rot. Bonds6

About N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide

N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 1360894) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID1360894
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-15-10-8-13(9-11-15)17-16(19)12-18(23(2,20)21)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyVDGXFCHAZFCDJB-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(dimethylsulfamoyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 3363391
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343028
N-(4-cyclopentyloxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220186
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide (CID 1360894) is N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide is COc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is VDGXFCHAZFCDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-15-10-8-13(9-11-15)17-16(19)12-18(23(2,20)21)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide?
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 334.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1360894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).