N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride

C15H22BrClN2O3S — CID 119780659

IUPACN-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCSCCOc1cccc(Br)c1)C1CNCCO1
InChIInChI=1S/C15H21BrN2O3S.ClH/c16-12-2-1-3-13(10-12)20-7-9-22-8-5-18-15(19)14-11-17-4-6-21-14;/h1-3,10,14,17H,4-9,11H2,(H,18,19);1H
InChIKeyYFEQCVDSDULVOD-UHFFFAOYSA-N
MW425.78 g/mol
LogP2.09
Rot. Bonds8

About N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride

N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119780659) has the molecular formula C15H22BrClN2O3S and a molecular weight of 425.78 g/mol. Its IUPAC name is N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119780659
Molecular FormulaC15H22BrClN2O3S
Molecular Weight425.78 g/mol
Exact Mass424.02
IUPAC NameN-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCSCCOc1cccc(Br)c1)C1CNCCO1
InChIInChI=1S/C15H21BrN2O3S.ClH/c16-12-2-1-3-13(10-12)20-7-9-22-8-5-18-15(19)14-11-17-4-6-21-14;/h1-3,10,14,17H,4-9,11H2,(H,18,19);1H
InChIKeyYFEQCVDSDULVOD-UHFFFAOYSA-N
XLogP2.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.78
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-2-(methylamino)acetamide
CID 119780648
(2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide
CID 119321908
N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119780653
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
1-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-2-(2-methoxyethyl)guanidine
CID 111117743
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119784414
N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119780505
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide
CID 119865335
N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753692
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide
CID 56895496

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride (CID 119780659) is N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCCSCCOc1cccc(Br)c1)C1CNCCO1.
What is the InChIKey of N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is YFEQCVDSDULVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S.ClH/c16-12-2-1-3-13(10-12)20-7-9-22-8-5-18-15(19)14-11-17-4-6-21-14;/h1-3,10,14,17H,4-9,11H2,(H,18,19);1H.
What are the key properties of N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride?
N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 425.78 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119780659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).