2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride

C19H25ClN2O4S — CID 119340507

IUPAC2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1.Cl
InChIInChI=1S/C19H24N2O4S.ClH/c1-3-7-16(20)19(22)21-14-10-12-15(13-11-14)25-17-8-5-6-9-18(17)26(23,24)4-2;/h5-6,8-13,16H,3-4,7,20H2,1-2H3,(H,21,22);1H
InChIKeyZFXLQARFNKCCEC-UHFFFAOYSA-N
MW412.94 g/mol
LogP3.76
Rot. Bonds8

About 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride

2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride (PubChem CID 119340507) has the molecular formula C19H25ClN2O4S and a molecular weight of 412.94 g/mol. Its IUPAC name is 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride
PubChem CID119340507
Molecular FormulaC19H25ClN2O4S
Molecular Weight412.94 g/mol
Exact Mass412.12
IUPAC Name2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1.Cl
InChIInChI=1S/C19H24N2O4S.ClH/c1-3-7-16(20)19(22)21-14-10-12-15(13-11-14)25-17-8-5-6-9-18(17)26(23,24)4-2;/h5-6,8-13,16H,3-4,7,20H2,1-2H3,(H,21,22);1H
InChIKeyZFXLQARFNKCCEC-UHFFFAOYSA-N
XLogP3.76
TPSA98.49 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 ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119813180
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
2-amino-N-[2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 119266399
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119813191
1-ethylsulfonyl-2-phenoxybenzene
CID 122651417
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pentanamide
CID 119322060
N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 119340504
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride (CID 119340507) is 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride?
The InChIKey is ZFXLQARFNKCCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S.ClH/c1-3-7-16(20)19(22)21-14-10-12-15(13-11-14)25-17-8-5-6-9-18(17)26(23,24)4-2;/h5-6,8-13,16H,3-4,7,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride?
2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride has a molecular weight of 412.94 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119340507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).