N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C19H25ClN2O4S — CID 119813180

IUPACN-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C(C)CNC)cc1.Cl
InChIInChI=1S/C19H24N2O4S.ClH/c1-4-26(23,24)18-8-6-5-7-17(18)25-16-11-9-15(10-12-16)21-19(22)14(2)13-20-3;/h5-12,14,20H,4,13H2,1-3H3,(H,21,22);1H
InChIKeyAQMXUTJLQZSCBZ-UHFFFAOYSA-N
MW412.94 g/mol
LogP3.49
Rot. Bonds8

About N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119813180) has the molecular formula C19H25ClN2O4S and a molecular weight of 412.94 g/mol. Its IUPAC name is N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119813180
Molecular FormulaC19H25ClN2O4S
Molecular Weight412.94 g/mol
Exact Mass412.12
IUPAC NameN-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C(C)CNC)cc1.Cl
InChIInChI=1S/C19H24N2O4S.ClH/c1-4-26(23,24)18-8-6-5-7-17(18)25-16-11-9-15(10-12-16)21-19(22)14(2)13-20-3;/h5-12,14,20H,4,13H2,1-3H3,(H,21,22);1H
InChIKeyAQMXUTJLQZSCBZ-UHFFFAOYSA-N
XLogP3.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride
CID 119340507
N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119813191
1-ethylsulfonyl-2-phenoxybenzene
CID 122651417
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 119340504
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine
CID 133428386
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119813180) is N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C(C)CNC)cc1.Cl.
What is the InChIKey of N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is AQMXUTJLQZSCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S.ClH/c1-4-26(23,24)18-8-6-5-7-17(18)25-16-11-9-15(10-12-16)21-19(22)14(2)13-20-3;/h5-12,14,20H,4,13H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 412.94 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119813180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).