3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide

C19H24N2O5S — CID 110295892

IUPAC3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H24N2O5S/c1-14-5-6-15(13-18(14)27(23,24)21(2)3)19(22)20-11-12-26-17-9-7-16(25-4)8-10-17/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyNCNHVXANYWQZPS-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.06
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide

3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide (PubChem CID 110295892) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
PubChem CID110295892
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H24N2O5S/c1-14-5-6-15(13-18(14)27(23,24)21(2)3)19(22)20-11-12-26-17-9-7-16(25-4)8-10-17/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyNCNHVXANYWQZPS-UHFFFAOYSA-N
XLogP2.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584
N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24552489
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 27861724
3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 110660579
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide (CID 110295892) is 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide is COc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide?
The InChIKey is NCNHVXANYWQZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14-5-6-15(13-18(14)27(23,24)21(2)3)19(22)20-11-12-26-17-9-7-16(25-4)8-10-17/h5-10,13H,11-12H2,1-4H3,(H,20,22).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide?
3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide is sourced from PubChem (CID 110295892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).