2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide

C16H18N2O4S — CID 42026319

IUPAC2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCOc1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-15-6-4-3-5-14(15)17-11-16(19)18-12-7-9-13(10-8-12)23(2,20)21/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyFMEBNBXHYFSMDF-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.15
Rot. Bonds6

About 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide

2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 42026319) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID42026319
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCOc1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-15-6-4-3-5-14(15)17-11-16(19)18-12-7-9-13(10-8-12)23(2,20)21/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyFMEBNBXHYFSMDF-UHFFFAOYSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42027103
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54817342
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
2-(2-methoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54817190
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide
CID 60609393

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide (CID 42026319) is 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide is COc1ccccc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is FMEBNBXHYFSMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-15-6-4-3-5-14(15)17-11-16(19)18-12-7-9-13(10-8-12)23(2,20)21/h3-10,17H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide?
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 42026319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).