N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide

C18H22N2O4S — CID 47062648

IUPACN-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H22N2O4S/c1-12-5-6-13(2)16(9-12)20-25(22,23)18-10-15(11-19-14(3)21)7-8-17(18)24-4/h5-10,20H,11H2,1-4H3,(H,19,21)
InChIKeyGHCUUGQZLUPMPF-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.75
Rot. Bonds6

About N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide

N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide (PubChem CID 47062648) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide
PubChem CID47062648
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H22N2O4S/c1-12-5-6-13(2)16(9-12)20-25(22,23)18-10-15(11-19-14(3)21)7-8-17(18)24-4/h5-10,20H,11H2,1-4H3,(H,19,21)
InChIKeyGHCUUGQZLUPMPF-UHFFFAOYSA-N
XLogP2.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 47062659
N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide
CID 154745151
N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108782677
5-[[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-(2,5-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 92867209
5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
CID 3825537
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 110424896
N-[5-[(Z)-2-[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394110
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 109003069
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide?
The IUPAC name of N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide (CID 47062648) is N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide is COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide?
The InChIKey is GHCUUGQZLUPMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-5-6-13(2)16(9-12)20-25(22,23)18-10-15(11-19-14(3)21)7-8-17(18)24-4/h5-10,20H,11H2,1-4H3,(H,19,21).
What are the key properties of N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide?
N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide is sourced from PubChem (CID 47062648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).