N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C18H28Cl2N4O3S — CID 119940974

IUPACN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C18H26N4O3S.2ClH/c23-17(11-16-13-26-10-5-19-16)20-14-1-3-15(4-2-14)21-18(24)12-22-6-8-25-9-7-22;;/h1-4,16,19H,5-13H2,(H,20,23)(H,21,24);2*1H
InChIKeyZKMNUYYGNWZMOB-UHFFFAOYSA-N
MW451.42 g/mol
LogP1.83
Rot. Bonds6

About N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119940974) has the molecular formula C18H28Cl2N4O3S and a molecular weight of 451.42 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119940974
Molecular FormulaC18H28Cl2N4O3S
Molecular Weight451.42 g/mol
Exact Mass450.13
IUPAC NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C18H26N4O3S.2ClH/c23-17(11-16-13-26-10-5-19-16)20-14-1-3-15(4-2-14)21-18(24)12-22-6-8-25-9-7-22;;/h1-4,16,19H,5-13H2,(H,20,23)(H,21,24);2*1H
InChIKeyZKMNUYYGNWZMOB-UHFFFAOYSA-N
XLogP1.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-morpholin-4-ylethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941502
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936357
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119840808
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940783
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935848
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119940974) is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is ZKMNUYYGNWZMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S.2ClH/c23-17(11-16-13-26-10-5-19-16)20-14-1-3-15(4-2-14)21-18(24)12-22-6-8-25-9-7-22;;/h1-4,16,19H,5-13H2,(H,20,23)(H,21,24);2*1H.
What are the key properties of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 451.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119940974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).