N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide

C18H22N2O4S — CID 94606005

IUPACN-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCCOc1ccccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-18-8-6-5-7-15(18)13-20(3)25(22,23)17-11-9-16(10-12-17)19-14(2)21/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyDYHAQLKOLKQBJP-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.86
Rot. Bonds7

About N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide

N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide (PubChem CID 94606005) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
PubChem CID94606005
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCCOc1ccccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-18-8-6-5-7-15(18)13-20(3)25(22,23)17-11-9-16(10-12-17)19-14(2)21/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyDYHAQLKOLKQBJP-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55957400
(2-ethoxyphenyl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 8842049
N-[4-[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 17465388
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
[2-[[(4-acetamidophenyl)sulfonyl-methylamino]methyl]-4-acetyloxy-5-methoxyphenyl] acetate
CID 91691887
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 9368344
N-[(5-acetyl-2-ethoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787896
N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889321
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide (CID 94606005) is N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide is CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The InChIKey is DYHAQLKOLKQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-18-8-6-5-7-15(18)13-20(3)25(22,23)17-11-9-16(10-12-17)19-14(2)21/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 94606005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).