2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride

C17H23ClN2O5S — CID 70366767

IUPAC2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccc(OCCNCC(O)COc2ccsc2)cc1
InChIInChI=1S/C17H22N2O5S.ClH/c18-17(21)11-24-15-3-1-14(2-4-15)22-7-6-19-9-13(20)10-23-16-5-8-25-12-16;/h1-5,8,12-13,19-20H,6-7,9-11H2,(H2,18,21);1H
InChIKeyLEELOGUAHSZNDS-UHFFFAOYSA-N
MW402.90 g/mol
LogP1.44
Rot. Bonds12

About 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride

2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride (PubChem CID 70366767) has the molecular formula C17H23ClN2O5S and a molecular weight of 402.90 g/mol. Its IUPAC name is 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride
PubChem CID70366767
Molecular FormulaC17H23ClN2O5S
Molecular Weight402.90 g/mol
Exact Mass402.10
IUPAC Name2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccc(OCCNCC(O)COc2ccsc2)cc1
InChIInChI=1S/C17H22N2O5S.ClH/c18-17(21)11-24-15-3-1-14(2-4-15)22-7-6-19-9-13(20)10-23-16-5-8-25-12-16;/h1-5,8,12-13,19-20H,6-7,9-11H2,(H2,18,21);1H
InChIKeyLEELOGUAHSZNDS-UHFFFAOYSA-N
XLogP1.44
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[[(2S)-2-hydroxy-3-thiophen-3-yloxypropyl]amino]ethyl]phenoxy]acetic acid
CID 70366796
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
2-[4-[2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]ethoxy]phenoxy]acetic acid;hydrochloride
CID 54585701
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
CID 115475945
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide
CID 110169427
2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
CID 15174968
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209571
1-(3-hydroxypropylamino)-3-(4-thiophen-3-ylphenoxy)propan-2-ol
CID 10425344

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride (CID 70366767) is 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride is Cl.NC(=O)COc1ccc(OCCNCC(O)COc2ccsc2)cc1.
What is the InChIKey of 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride?
The InChIKey is LEELOGUAHSZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S.ClH/c18-17(21)11-24-15-3-1-14(2-4-15)22-7-6-19-9-13(20)10-23-16-5-8-25-12-16;/h1-5,8,12-13,19-20H,6-7,9-11H2,(H2,18,21);1H.
What are the key properties of 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride?
2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride has a molecular weight of 402.90 g/mol, XLogP of 1.44, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 70366767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).