2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

C16H18N2O4S — CID 35545961

IUPAC2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-12-6-8-15(9-7-12)23(20,21)18-14-5-3-4-13(10-14)17-16(19)11-22-2/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyXVXJBHUTUUFVBN-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.38
Rot. Bonds6

About 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 35545961) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID35545961
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-12-6-8-15(9-7-12)23(20,21)18-14-5-3-4-13(10-14)17-16(19)11-22-2/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyXVXJBHUTUUFVBN-UHFFFAOYSA-N
XLogP2.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
CID 25335006
2-methoxy-N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370245
2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370537
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 35546488
N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
CID 39831666
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
4-[[4-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]benzamide
CID 30805411
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8924831
3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid
CID 43711796
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 35545961) is 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is COCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is XVXJBHUTUUFVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-6-8-15(9-7-12)23(20,21)18-14-5-3-4-13(10-14)17-16(19)11-22-2/h3-10,18H,11H2,1-2H3,(H,17,19).
What are the key properties of 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 35545961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).