2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide

C18H23N3O3S — CID 47056038

IUPAC2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NCC2(N3CCOCC3)CCSC2)c1
InChIInChI=1S/C18H23N3O3S/c19-11-15-2-1-3-16(10-15)24-12-17(22)20-13-18(4-9-25-14-18)21-5-7-23-8-6-21/h1-3,10H,4-9,12-14H2,(H,20,22)
InChIKeyNURSTRLCIPPUCX-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.26
Rot. Bonds6

About 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide

2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide (PubChem CID 47056038) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
PubChem CID47056038
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
SMILESN#Cc1cccc(OCC(=O)NCC2(N3CCOCC3)CCSC2)c1
InChIInChI=1S/C18H23N3O3S/c19-11-15-2-1-3-16(10-15)24-12-17(22)20-13-18(4-9-25-14-18)21-5-7-23-8-6-21/h1-3,10H,4-9,12-14H2,(H,20,22)
InChIKeyNURSTRLCIPPUCX-UHFFFAOYSA-N
XLogP1.26
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55658606
3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]benzonitrile
CID 95582569
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620
2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 55658478
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2426774

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide (CID 47056038) is 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide is N#Cc1cccc(OCC(=O)NCC2(N3CCOCC3)CCSC2)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
The InChIKey is NURSTRLCIPPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c19-11-15-2-1-3-16(10-15)24-12-17(22)20-13-18(4-9-25-14-18)21-5-7-23-8-6-21/h1-3,10H,4-9,12-14H2,(H,20,22).
What are the key properties of 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 47056038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).