N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide

C18H22N2O4S — CID 18146312

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-8-10-16(11-9-13)24-14(2)18(21)19-15-6-5-7-17(12-15)25(22,23)20(3)4/h5-12,14H,1-4H3,(H,19,21)
InChIKeyXANHWJPRNAPBQS-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.65
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 18146312) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
PubChem CID18146312
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-8-10-16(11-9-13)24-14(2)18(21)19-15-6-5-7-17(12-15)25(22,23)20(3)4/h5-12,14H,1-4H3,(H,19,21)
InChIKeyXANHWJPRNAPBQS-UHFFFAOYSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 42989899
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 84603772
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 8647619
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 7760061
N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 18170408
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568279
2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546882
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide (CID 18146312) is N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is XANHWJPRNAPBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-8-10-16(11-9-13)24-14(2)18(21)19-15-6-5-7-17(12-15)25(22,23)20(3)4/h5-12,14H,1-4H3,(H,19,21).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 18146312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).