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

C16H18N2O6S2 — CID 55901202

IUPACN-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1NC(C)=O
InChIInChI=1S/C16H18N2O6S2/c1-11(19)17-13-9-8-12(10-14(13)24-2)18-26(22,23)16-7-5-4-6-15(16)25(3,20)21/h4-10,18H,1-3H3,(H,17,19)
InChIKeyQYQMIEJPQFZUMV-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.86
Rot. Bonds6

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

N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 55901202) has the molecular formula C16H18N2O6S2 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID55901202
Molecular FormulaC16H18N2O6S2
Molecular Weight398.46 g/mol
Exact Mass398.06
IUPAC NameN-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1NC(C)=O
InChIInChI=1S/C16H18N2O6S2/c1-11(19)17-13-9-8-12(10-14(13)24-2)18-26(22,23)16-7-5-4-6-15(16)25(3,20)21/h4-10,18H,1-3H3,(H,17,19)
InChIKeyQYQMIEJPQFZUMV-UHFFFAOYSA-N
XLogP1.86
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-fluorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 60527169
N-[2-methoxy-4-[(3-methylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 8842812
N-[4-[(3,4-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 55902732
4-methoxy-3-[(2-methylsulfonylphenyl)sulfonylamino]benzamide
CID 55901057
N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
CID 161073993
N-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8501064
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
CID 25043144
N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide (CID 55901202) is N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide is COc1cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is QYQMIEJPQFZUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S2/c1-11(19)17-13-9-8-12(10-14(13)24-2)18-26(22,23)16-7-5-4-6-15(16)25(3,20)21/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide?
N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 55901202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).