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

C17H20N2O4S — CID 113093827

IUPACN-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2N(C)C(C)=O)cc1C
InChIInChI=1S/C17H20N2O4S/c1-12-11-14(9-10-17(12)23-4)24(21,22)18-15-7-5-6-8-16(15)19(3)13(2)20/h5-11,18H,1-4H3
InChIKeyXMDXGBWWDGVPFY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.79
Rot. Bonds5

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

N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 113093827) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID113093827
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2N(C)C(C)=O)cc1C
InChIInChI=1S/C17H20N2O4S/c1-12-11-14(9-10-17(12)23-4)24(21,22)18-15-7-5-6-8-16(15)19(3)13(2)20/h5-11,18H,1-4H3
InChIKeyXMDXGBWWDGVPFY-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093841
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 40607885
N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093819
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110867586
N-[5-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24502312
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide (CID 113093827) is N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide is COc1ccc(S(=O)(=O)Nc2ccccc2N(C)C(C)=O)cc1C.
What is the InChIKey of N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is XMDXGBWWDGVPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-11-14(9-10-17(12)23-4)24(21,22)18-15-7-5-6-8-16(15)19(3)13(2)20/h5-11,18H,1-4H3.
What are the key properties of N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide?
N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 348.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 113093827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).