(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide

C18H22N2O4S — CID 7812070

IUPAC(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H22N2O4S/c1-13-10-11-15(12-17(13)25(22,23)20(3)4)19-18(21)14(2)24-16-8-6-5-7-9-16/h5-12,14H,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyVATHZERYMNSHHZ-AWEZNQCLSA-N
MW362.45 g/mol
LogP2.65
Rot. Bonds6

About (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide

(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide (PubChem CID 7812070) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
PubChem CID7812070
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H22N2O4S/c1-13-10-11-15(12-17(13)25(22,23)20(3)4)19-18(21)14(2)24-16-8-6-5-7-9-16/h5-12,14H,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyVATHZERYMNSHHZ-AWEZNQCLSA-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

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624
(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 7892595
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenoxypropanamide
CID 43032566
2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 43346422
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride
CID 119675164
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide (CID 7812070) is (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide is Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide?
The InChIKey is VATHZERYMNSHHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-10-11-15(12-17(13)25(22,23)20(3)4)19-18(21)14(2)24-16-8-6-5-7-9-16/h5-12,14H,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide?
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide 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 (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide is sourced from PubChem (CID 7812070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).